Glycoside
...
GD130908

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

Formula:
C47H74O17

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C(=O)CC5=C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC2=C3CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.91
AlogP: 1.69 Num_rotatable_bonds: 7
MolWt: 911.09 Num_heavy_atoms: 64
TPSA: 271.59 NumAromaticRings: 0

Unique Aglycone
AD53051
Formula: C30H48O3

Smiles:
CC1(C)CC2=C3CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.46 Num_rotatable_bonds: 0
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00541

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