Glycoside
...
GD149589

Name:
2-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(10,12,13-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)methoxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C48H80O19

Smiles:
CC1(C)CCC2(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CC(O)C4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(CO)CCC3(C)C(=CC(O)C4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -1.44 Num_rotatable_bonds: 10
MolWt: 961.15 Num_heavy_atoms: 67
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD59804
Formula: C30H50O4

Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CC(O)C4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 5.08 Num_rotatable_bonds: 1
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD01593

OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O