Glycoside
...
GD151967

Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[5-hydroxy-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-1,2,6a,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:
C53H86O22

Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 13 FractionCSP3: 0.94
AlogP: -1.54 Num_rotatable_bonds: 11
MolWt: 1075.25 Num_heavy_atoms: 75
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD03055
Formula: C30H48O3

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.09 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD04709

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O