Glycoside
GD133778
Name:
3-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-oneFormula:
C26H28O15Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)cc1OAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.5 | Num_heavy_atoms: | 41 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD03173
Formula: C16H12O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
