Glycoside
GD123551
Name:
6-(4-{2-[3-(4-methoxyphenyl)prop-2-enamido]ethyl}phenoxy)-2-methyl-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-3-yl acetateFormula:
C38H51O18NSmiles:
COc1ccc(C=CC(O)=NCCc2ccc(OC3OC(C)C(OC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)cc2)cc1Aglycone:
COc1ccc(C=CC(O)=NCCc2ccc(O)cc2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)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
AD45963
Formula: C18H19O3N
Smiles:
COc1ccc(C=CC(O)=NCCc2ccc(O)cc2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 297.35 | Num_heavy_atoms: | 22 |
| TPSA: | 62.05 | NumAromaticRings: | 2 |
