Glycoside
...
GD150213

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

Formula:
C48H78O17

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CCC7(CO)C(O)CC56C)C4(C)C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.53 Num_rotatable_bonds: 9
MolWt: 927.14 Num_heavy_atoms: 65
TPSA: 277.91 NumAromaticRings: 0

Unique Aglycone
AD50374
Formula: C30H48O3

Smiles:
CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.03 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD00047

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