Glycoside
...
GD147057

Name:
3,5-dihydroxy-6-{[4-(hydroxymethyl)-11-(methoxycarbonyl)-4,6a,6b,11,14b-pentamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C48H74O21

Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 11 FractionCSP3: 0.9
AlogP: -1.0 Num_rotatable_bonds: 10
MolWt: 987.1 Num_heavy_atoms: 69
TPSA: 338.35 NumAromaticRings: 0

Unique Aglycone
AD00921
Formula: C31H48O6

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.36 Num_rotatable_bonds: 3
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD01358

O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O