Glycoside
...
GD156072

Name:
6-({14b-formyl-9-hydroxy-11-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl}oxy)-5-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C56H82O22

Smiles:
COc1cc(C(=O)OCC2(C)C=C3C4CCC5C6(C=O)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CCC3(C)C(O)C2)cc(OC)c1O

Aglycone:
COc1cc(C(=O)OCC2(C)C=C3C4CCC5C6(C=O)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC3(C)C(O)C2)cc(OC)c1O

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 10 FractionCSP3: 0.8
AlogP: 2.11 Num_rotatable_bonds: 13
MolWt: 1107.25 Num_heavy_atoms: 78
TPSA: 336.58 NumAromaticRings: 1

Unique Aglycone
AD61834
Formula: C39H56O8

Smiles:
COc1cc(C(=O)OCC2(C)C=C3C4CCC5C6(C=O)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC3(C)C(O)C2)cc(OC)c1O
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.74
AlogP: 6.88 Num_rotatable_bonds: 6
MolWt: 652.87 Num_heavy_atoms: 47
TPSA: 122.52 NumAromaticRings: 1

Sugarmoiety
SD00541

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O