Glycoside
GD144824
Name:
3-({6-[({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C33H42O20Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2OC2OC(COC3OC(C)C(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 758.68 | Num_heavy_atoms: | 53 |
| TPSA: | 313.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD50289
Formula: C16H14O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
