Glycoside
GD145916
Name:
2,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxyhexanedioic acidFormula:
C33H28O17Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)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)c1Sugarmoiety:
O=C(O)C(OO)C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.12 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 14 |
| MolWt: | 696.57 | Num_heavy_atoms: | 50 |
| TPSA: | 295.11 | 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 |
