Glycoside
GD145820
Name:
4,4,7a-trimethyl-2-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-octahydro-1-benzofuran-6-oneFormula:
C19H32O8Smiles:
CC(OC1OC(CO)C(O)C(O)C1O)C1CC2C(C)(C)CC(=O)CC2(C)O1Aglycone:
CC(O)C1CC2C(C)(C)CC(=O)CC2(C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58509
Formula: C13H22O3
Smiles:
CC(O)C1CC2C(C)(C)CC(=O)CC2(C)O1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
