Glycoside
GD129237
Name:
2,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-methoxy-4-oxobutanoic acidFormula:
C23H20O12Smiles:
COC(=O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)OAglycone:
O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
COC(=O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 9 |
| 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 |
