Glycoside
...
GD116860

Name:
3a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-8-carboxylic acid

Formula:
C47H74O20

Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(O)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.91
AlogP: -0.98 Num_rotatable_bonds: 10
MolWt: 959.09 Num_heavy_atoms: 67
TPSA: 332.28 NumAromaticRings: 0

Unique Aglycone
AD02008
Formula: C30H46O5

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.15 Num_rotatable_bonds: 3
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD04938

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O