Glycoside
GD143872
Name:
2,3,4-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-[(2-methylpropanoyl)oxy]hexanedioic acidFormula:
C37H34O18Smiles:
CC(C)C(=O)OC(C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)OAglycone:
CC(C)C=O.O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.19 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 16 |
| MolWt: | 766.66 | Num_heavy_atoms: | 55 |
| TPSA: | 301.18 | 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 |
AD57842
Formula: C4H8O
Smiles:
CC(C)C=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
