Glycoside
GD117447
Name:
2,3-bis[(3-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]-4,5-dihydroxyphenyl}prop-2-enoyl)oxy]butanedioic acidFormula:
C40H34O20Smiles:
O=C(C=Cc1cc(O)c(O)c(C(Cc2ccc(O)c(O)c2)C(=O)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=Cc1cc(O)c(O)c(C(Cc2ccc(O)c(O)c2)C(=O)O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.15 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 17 |
| MolWt: | 834.69 | Num_heavy_atoms: | 60 |
| TPSA: | 363.64 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
