Glycoside
GD151929
Name:
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C40H52O26Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.62 |
| AlogP: | -5.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 948.83 | Num_heavy_atoms: | 66 |
| TPSA: | 416.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD46166
Formula: C16H12O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
