Glycoside
GD118652
Name:
2-{[3,6-dihydroxy-4-(5-hydroxy-3-methylpent-3-en-1-yl)-8-(hydroxymethyl)-3,4a,8-trimethyl-decahydronaphthalen-1-yl]oxy}oxane-3,4,5-triolFormula:
C25H44O9Smiles:
CC(=CCO)CCC1C(C)(O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CC(O)CC12CAglycone:
CC(=CCO)CCC1C(C)(O)CC(O)C2C(C)(CO)CC(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.62 | Num_heavy_atoms: | 34 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47463
Formula: C20H36O5
Smiles:
CC(=CCO)CCC1C(C)(O)CC(O)C2C(C)(CO)CC(O)CC12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.5 | Num_heavy_atoms: | 25 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
