Glycoside

GD157851
Name:
3,4,5-trihydroxy-6-{[14-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acidFormula:
C36H56O10Smiles:
CC1(C)CC(=O)C2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CC(=O)C2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.89 |
AlogP: | 3.21 | Num_rotatable_bonds: | 4 |
MolWt: | 648.83 | Num_heavy_atoms: | 46 |
TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD62364
Formula: C30H48O4
Smiles:
CC1(C)CC(=O)C2(C)CCC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1HBA: | 4 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.9 |
AlogP: | 5.29 | Num_rotatable_bonds: | 1 |
MolWt: | 472.71 | Num_heavy_atoms: | 34 |
TPSA: | 77.76 | NumAromaticRings: | 0 |