Glycoside
GD008576
Name:
3-methyl-2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl)cyclopent-2-en-1-oneFormula:
C17H26O7Smiles:
CC1=C(CC=CCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)CC1Aglycone:
CC1=C(CC=CCCO)C(=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.39 | Num_heavy_atoms: | 24 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD06830
Formula: C11H16O2
Smiles:
CC1=C(CC=CCCO)C(=O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.25 | Num_heavy_atoms: | 13 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
