Glycoside
GD119017
Name:
[5-(acetyloxy)-6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C32H30O16Smiles:
CC(=O)OC1C(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3=O)OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 670.58 | Num_heavy_atoms: | 48 |
| TPSA: | 259.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD01473
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
