Glycoside
GD157563
Name:
2-{[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxy]methyl}-3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}oxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C44H50O21Smiles:
COc1cc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(COC3OC(C)C(C)C(O)C3O)C(O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1COther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.45 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 914.86 | Num_heavy_atoms: | 65 |
| TPSA: | 323.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
