Glycoside
...
GD153268

Name:
8a-({[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(3,4,5-trihydroxyoxan-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:
C59H94O30

Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 18 FractionCSP3: 0.93
AlogP: -5.54 Num_rotatable_bonds: 15
MolWt: 1283.37 Num_heavy_atoms: 89
TPSA: 490.58 NumAromaticRings: 0

Unique Aglycone
AD01853
Formula: C30H46O6

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 5.27 Num_rotatable_bonds: 2
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00463

OC1COC(O)C(O)C1O.OCC1OC(OC2C(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O