Glycoside
GD156427
Name:
4-{2-[2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-oneFormula:
C25H40O9Smiles:
CC1(O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC2(C)C1CCC1=CC(=O)OC1Aglycone:
CC1(O)CC(O)C2C(C)(CO)CCCC2(C)C1CCC1=CC(=O)OC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.59 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61943
Formula: C20H32O5
Smiles:
CC1(O)CC(O)C2C(C)(CO)CCCC2(C)C1CCC1=CC(=O)OC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.47 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
