Glycoside

GD032651
Name:
NoneFormula:
C45H75O24N7Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCC=CCOC(=O)NCCN(CCNC(=O)OCC=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)CCNC(=O)OCC=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=OAglycone:
O=C(NCCN(CCNC(=O)OCC=CCO)CCNC(=O)OCC=CCO)OCC=CCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 3 |
HBD: | 15 | FractionCSP3: | 0.73 |
AlogP: | -6.98 | Num_rotatable_bonds: | 30 |
MolWt: | 1098.12 | Num_heavy_atoms: | 76 |
TPSA: | 442.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD20905
Formula: C21H36O9N4
Smiles:
O=C(NCCN(CCNC(=O)OCC=CCO)CCNC(=O)OCC=CCO)OCC=CCOHBA: | 13 | RingCount: | 0 |
HBD: | 6 | FractionCSP3: | 0.57 |
AlogP: | -0.89 | Num_rotatable_bonds: | 18 |
MolWt: | 488.54 | Num_heavy_atoms: | 34 |
TPSA: | 178.92 | NumAromaticRings: | 0 |
Sugarmoiety

SD00390
CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O