Glycoside
GD141401
Name:
5-hydroxy-6-{[2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-2-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl acetateFormula:
C34H40O18Smiles:
CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)ccc3c2=O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OC1OCC(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.68 | Num_heavy_atoms: | 52 |
| TPSA: | 273.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00807
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
