Glycoside
GD139451
Name:
2-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(2,3,4-trihydroxy-5-methylcyclohexyl)oxy]oxan-2-yl]oxy}-3-methoxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-oneFormula:
C29H34O15Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OC1OC(CO)C(OC2CC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC1CC(O)C(O)C(O)C1O.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
AD46185
Formula: C7H14O4
Smiles:
CC1CC(O)C(O)C(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 |
