Glycoside
GD150834
Name:
3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-2,6-dihydroxy-7-methoxy-7-oxohept-5-enoic acidFormula:
C26H24O14Smiles:
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)OAglycone:
C=C(O)C(=O)OC.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: | 7 | FractionCSP3: | 0.15 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 560.46 | Num_heavy_atoms: | 40 |
| TPSA: | 237.58 | 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 |
