Glycoside
GD123073
Name:
1,7-dimethyl 4,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-2,6-dihydroxyhept-2-enedioateFormula:
C27H26O14Smiles:
COC(=O)C(O)=CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(O)C(=O)OCAglycone:
C=C(O)C(=O)OC.O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
COC(=O)C(O)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 574.49 | Num_heavy_atoms: | 41 |
| TPSA: | 226.58 | 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 |
AD49643
Formula: C4H6O3
Smiles:
C=C(O)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
