Glycoside
...
GD116373

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

Formula:
C48H78O17

Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C=CC5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 1.59 Num_rotatable_bonds: 8
MolWt: 927.14 Num_heavy_atoms: 65
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD46199
Formula: C30H50O2

Smiles:
CC1(C)CC(O)C2(C)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 2 RingCount: 5
HBD: 2 FractionCSP3: 0.93
AlogP: 7.0 Num_rotatable_bonds: 0
MolWt: 442.73 Num_heavy_atoms: 32
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD01195

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