Glycoside
GD145445
Name:
8-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,6-trihydroxy-2-methylcyclohexyl)oxy]oxan-3-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C28H32O14Smiles:
CC1C(O)C(O)CC(O)C1OC1OC(CO)C(Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)C1OAglycone:
CC1C(O)C(O)CC(O)C1O.O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 239.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD06991
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD58382
Formula: C7H14O4
Smiles:
CC1C(O)C(O)CC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
