Glycoside
GD144614
Name:
2-[(3-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]-4,5-dihydroxyphenyl}prop-2-enoyl)oxy]-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acidFormula:
C31H26O16Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)C=Cc1cc(O)c(O)c(C(Cc2ccc(O)c(O)c2)C(=O)O)c1)C(=O)OAglycone:
O=CC=Cc1cc(O)c(O)c(C(Cc2ccc(O)c(O)c2)C(=O)O)c1.O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.13 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 13 |
| MolWt: | 654.53 | Num_heavy_atoms: | 47 |
| TPSA: | 285.88 | NumAromaticRings: | 3 |
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 |
AD46826
Formula: C18H16O7
Smiles:
O=CC=Cc1cc(O)c(O)c(C(Cc2ccc(O)c(O)c2)C(=O)O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
