Glycoside
GD145617
Name:
4,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-2,6-dihydroxyhept-2-enedioic acidFormula:
C25H22O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(C=C(O)C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(O)C(=O)OAglycone:
C=C(O)C(=O)O.O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(O)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.12 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 546.44 | Num_heavy_atoms: | 39 |
| TPSA: | 248.58 | 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 |
AD24206
Formula: C3H4O3
Smiles:
C=C(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.06 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
