Glycoside
...
GD148109

Name:
6-[(8a-carboxy-4,4,6a,6b,11,11,14a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C49H78O18

Smiles:
CC1OC(OC2C(O)C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C6(C)CCC7(C(=O)O)CCC(C)(C)CC7C6=CCC45C)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.92
AlogP: 2.22 Num_rotatable_bonds: 9
MolWt: 955.15 Num_heavy_atoms: 67
TPSA: 291.82 NumAromaticRings: 0

Unique Aglycone
AD54823
Formula: C31H50O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.62 Num_rotatable_bonds: 1
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD02675

CC1OC(OC2C(O)C(C(=O)O)OC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O