Glycoside
...
GD156953

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

Formula:
C54H88O23

Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C(CC(C)(C)CCO)C(C(=O)O)=CCC45C)C3(C)C)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(CCO)CC1C(C(=O)O)=CCC2(C)C1=CCC1C3(C)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.91
AlogP: -1.3 Num_rotatable_bonds: 16
MolWt: 1105.28 Num_heavy_atoms: 77
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD62097
Formula: C30H48O4

Smiles:
CC(C)(CCO)CC1C(C(=O)O)=CCC2(C)C1=CCC1C3(C)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.83
AlogP: 6.37 Num_rotatable_bonds: 5
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD10525

CC1OC(OC2C(CO)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O