Glycoside
...
GD129569

Name:
6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-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-({3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C53H82O23

Smiles:
CC1OC(OC2C(O)COC(OC3C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)C=O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)COC(OC3C(C(=O)O)OC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 12 FractionCSP3: 0.91
AlogP: -0.53 Num_rotatable_bonds: 12
MolWt: 1087.22 Num_heavy_atoms: 76
TPSA: 367.81 NumAromaticRings: 0

Unique Aglycone
AD03275
Formula: C30H46O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 2
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD07108

CC1OC(OC2C(O)COC(OC3C(C(=O)O)OC(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O