Glycoside
...
GD132697

Name:
3-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl}oxy)-3-({6-[(3,4-dihydroxy-5-{[6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy}-6-methyloxan-2-yl)oxy]-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl}oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C97H153O46N

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)OC1C(C)OC(OC(C)(C=C)CCC=C(CO)C(=O)OC2CC3(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(OC5OC(CO)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7N=C(C)O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O

Aglycone:
C=CC(C)(O)CCC=C(CO)C(=O)O.C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 47 RingCount: 13
HBD: 25 FractionCSP3: 0.86
AlogP: -5.47 Num_rotatable_bonds: 35
MolWt: 2069.25 Num_heavy_atoms: 144
TPSA: 735.46 NumAromaticRings: 0

Unique Aglycone
AD00308
Formula: C10H16O4

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.5
AlogP: 0.71 Num_rotatable_bonds: 6
MolWt: 200.23 Num_heavy_atoms: 14
TPSA: 77.76 NumAromaticRings: 0
AD00320
Formula: C40H62O8

Smiles:
C=CC(C)(O)CCC=C(CO)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.8
AlogP: 6.36 Num_rotatable_bonds: 8
MolWt: 670.93 Num_heavy_atoms: 48
TPSA: 144.52 NumAromaticRings: 0

Sugarmoiety
SD07555

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C1O