Glycoside
...
GD139223

Name:
8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-2,3,9-trihydroxy-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-icosahydropicene-4-carboxylic acid

Formula:
C54H86O26

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC6(C)C(=CCC7C8(C)CC(O)C(O)C(C)(C(=O)O)C8CCC76C)C4CC(C)(C)CC5O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 16 FractionCSP3: 0.93
AlogP: -4.0 Num_rotatable_bonds: 12
MolWt: 1151.26 Num_heavy_atoms: 80
TPSA: 431.66 NumAromaticRings: 0

Unique Aglycone
AD50441
Formula: C30H46O7

Smiles:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 4.24 Num_rotatable_bonds: 2
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD06521

CC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O