Glycoside
...
GD153949

Name:
10-({6-[({3-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl}oxy)-5,6-dihydroxy-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-carboxylic acid

Formula:
C54H87O23N

Smiles:
CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)C(O)C(O)C34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -1.27 Num_rotatable_bonds: 12
MolWt: 1118.27 Num_heavy_atoms: 78
TPSA: 386.49 NumAromaticRings: 0

Unique Aglycone
AD15264
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)C(C1)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 1
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD05117

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O