Glycoside
GD127887
Name:
1-(5-hydroxy-3-methylpent-3-en-1-yl)-5-(hydroxymethyl)-5,8a-dimethyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehydeFormula:
C25H40O8Smiles:
CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12CAglycone:
CC(=CCO)CCC1=C(C=O)CC(O)C2C(C)(CO)CCCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.59 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD51800
Formula: C20H32O4
Smiles:
CC(=CCO)CCC1=C(C=O)CC(O)C2C(C)(CO)CCCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
