Glycoside
GD122131
Name:
2-(3,5-dihydroxy-4-methoxyphenyl)-3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O16Smiles:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2OC2OC(C)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1OAglycone:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 626.56 | Num_heavy_atoms: | 44 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD19412
Formula: C16H14O8
Smiles:
COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.28 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
