Glycoside
GD146967
Name:
4-Acetylaminoethylphenyl 1-O-[6-O-(Z)-P-Methoxycinnamoyl-Beta-D-Glucopyra+Formula:
C38H51O18NSmiles:
COc1ccc(C=CC(=O)OCC2OC(OC3C(Oc4ccc(CCN=C(C)O)cc4)OC(C)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
CC(O)=NCCc1ccc(O)cc1.COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 15 |
| MolWt: | 809.82 | Num_heavy_atoms: | 57 |
| TPSA: | 285.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD52690
Formula: C10H13O2N
Smiles:
CC(O)=NCCc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 52.82 | NumAromaticRings: | 1 |
