Glycoside
GD139086
Name:
[3,4-bis(acetyloxy)-6-{2,3-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy}-5-hydroxyoxan-2-yl]methyl acetateFormula:
C27H28O13Smiles:
CC(=O)OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)C(O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 195.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13415
Formula: C15H12O5
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
