Glycoside
...
GD137442

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

Formula:
C53H86O24

Smiles:
CC1OC(OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC7OCC(O)C(O)C7O)C(O)C6(CO)C(O)CC45C)C3(C)C)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O

Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 15 FractionCSP3: 0.94
AlogP: -2.89 Num_rotatable_bonds: 11
MolWt: 1107.25 Num_heavy_atoms: 77
TPSA: 394.36 NumAromaticRings: 0

Unique Aglycone
AD17897
Formula: C30H50O5

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
HBA: 5 RingCount: 5
HBD: 5 FractionCSP3: 0.93
AlogP: 4.05 Num_rotatable_bonds: 1
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD08183

CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O