Glycoside
GD127451
Name:
2-acetyl-5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}oxan-2-yl]oxy}-3-hydroxyphenyl 3-hydroxy-3-methylbutanoateFormula:
C27H32O13Smiles:
CC(=O)c1c(O)cc(OC2OC(CO)C(OC(=O)Cc3ccc(O)cc3)C(O)C2O)cc1OC(=O)CC(C)(C)OAglycone:
CC(=O)c1c(O)cc(O)cc1OC(=O)CC(C)(C)O.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 209.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD51610
Formula: C13H16O6
Smiles:
CC(=O)c1c(O)cc(O)cc1OC(=O)CC(C)(C)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.26 | Num_heavy_atoms: | 19 |
| TPSA: | 104.06 | NumAromaticRings: | 1 |
