Glycoside
GD150912
Name:
6-[4-acetyl-3-hydroxy-5-(3-hydroxy-3-methylbutoxy)phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetateFormula:
C27H34O12Smiles:
CC(=O)c1c(O)cc(OC2OC(CO)C(OC(=O)Cc3ccc(O)cc3)C(O)C2O)cc1OCCC(C)(C)OAglycone:
CC(=O)c1c(O)cc(O)cc1OCCC(C)(C)O.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | 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 |
AD60237
Formula: C13H18O5
Smiles:
CC(=O)c1c(O)cc(O)cc1OCCC(C)(C)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.28 | Num_heavy_atoms: | 18 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
