Glycoside
GD157854
Name:
(5-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)-5,7-dimethoxy-4-oxo-4H-chromen-6-yl]oxan-2-yl)methyl acetateFormula:
C33H38O16Smiles:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(OC)c1C1OC(COC(C)=O)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC(=O)OC1C(OC2C(O)OC(O)C(O)C2O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 690.65 | Num_heavy_atoms: | 49 |
| TPSA: | 230.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD49242
Formula: C17H14O5
Smiles:
COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
