Glycoside
GD152035
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acidFormula:
C23H20O12Smiles:
COc1cc(C=CC(=O)OC(C(=O)O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O)ccc1OAglycone:
COc1cc(C=CC=O)ccc1O.O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.4 | Num_heavy_atoms: | 35 |
| TPSA: | 197.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
