Glycoside
...
GD133437

Name:
8a-({[4,5-bis(acetyloxy)-3-({5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C63H98O31

Smiles:
CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC(C)=O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 10
HBD: 15 FractionCSP3: 0.9
AlogP: -3.37 Num_rotatable_bonds: 16
MolWt: 1351.45 Num_heavy_atoms: 94
TPSA: 482.49 NumAromaticRings: 0

Unique Aglycone
AD02512
Formula: C30H46O7

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 4.24 Num_rotatable_bonds: 3
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD07649

CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O