Glycoside
GD036430
Name:
2,3,4,5-tetrakis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})hexanedioic acidFormula:
C42H34O20Smiles:
O=C(C=Cc1ccc(O)c(O)c1)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:
O=CC=Cc1ccc(O)c(O)c1.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: | 20 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.1 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 17 |
| MolWt: | 858.71 | Num_heavy_atoms: | 62 |
| TPSA: | 341.64 | NumAromaticRings: | 4 |
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 |
