Glycoside
GD118035
Name:
N-(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-({4-[(4-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideFormula:
C40H68O31N2Smiles:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(C(O)CO)C(O)C4O)C3N=C(C)O)C2O)C1OAglycone:
[empty]Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(C(O)CO)C(O)C4O)C3N=C(C)O)C2O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 0.93 |
| AlogP: | -12.29 | Num_rotatable_bonds: | 23 |
| MolWt: | 1072.97 | Num_heavy_atoms: | 73 |
| TPSA: | 538.69 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05172
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4OC(C(O)CO)C(O)C4O)C3N=C(C)O)C2O)C1O