Glycoside
GD147623
Name:
N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-4-[(4-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C40H68O30N2Smiles:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 5 |
| HBD: | 19 | FractionCSP3: | 0.93 |
| AlogP: | -11.26 | Num_rotatable_bonds: | 21 |
| MolWt: | 1056.97 | Num_heavy_atoms: | 72 |
| TPSA: | 518.46 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD09467
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3N=C(C)O)C2OC2OC(C)C(O)C(O)C2O)OC(CO)C(O)C1O