Glycoside
GD130685
Name:
2-(3,4-dihydroxycyclohexyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-octahydro-2H-1-benzopyran-4-oneFormula:
C21H34O11Smiles:
O=C1CC(C2CCC(O)C(O)C2)OC2C1C(O)CC(O)C2C1OC(CO)C(O)C(O)C1OAglycone:
O=C1CC(C2CCC(O)C(O)C2)OC2CC(O)CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52954
Formula: C15H24O6
Smiles:
O=C1CC(C2CCC(O)C(O)C2)OC2CC(O)CC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.35 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
