Glycoside
GD157841
Name:
4'-hydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-7'a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1',2',3',3'a,4',7'a-hexahydrospiro[cyclopropane-1,5'-inden]-3'-oneFormula:
C21H32O9Smiles:
CC1=CC2(OC3OC(CO)C(O)C(O)C3O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2Aglycone:
CC1=CC2(O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49634
Formula: C15H22O4
Smiles:
CC1=CC2(O)CC(C)(CO)C(=O)C2C(C)(O)C12CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
