Glycoside
GD158191
Name:
[6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C38H32O17Smiles:
CC(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2C2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(C)=O.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 760.66 | Num_heavy_atoms: | 55 |
| TPSA: | 283.34 | NumAromaticRings: | 5 |
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 |
AD01025
Formula: C30H20O11
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.48 | Num_heavy_atoms: | 41 |
| TPSA: | 198.12 | NumAromaticRings: | 5 |
