Glycoside
GD022937
Name:
2,3-bis({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})butanedioic acidFormula:
C24H22O12Smiles:
COc1cc(C=CC(=O)O[C@H](C(=O)O)[C@H](OC(=O)C=Cc2ccc(O)c(OC)c2)C(=O)O)ccc1OAglycone:
COc1cc(C=CC=O)ccc1O.COc1cc(C=CC=O)ccc1OSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 502.43 | Num_heavy_atoms: | 36 |
| TPSA: | 186.12 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
