Glycoside
GD123913
Name:
N-(2-{3-methoxy-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]phenyl}ethyl)-3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enamideFormula:
C30H39O15NSmiles:
COc1cc(CCN=C(O)C=Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1OC1OC(O)C(O)C(O)C1OAglycone:
COc1cc(C=CC(O)=NCCc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 653.63 | Num_heavy_atoms: | 46 |
| TPSA: | 249.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD50033
Formula: C19H21O5N
Smiles:
COc1cc(C=CC(O)=NCCc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 343.38 | Num_heavy_atoms: | 25 |
| TPSA: | 91.51 | NumAromaticRings: | 2 |
