Glycoside

GD025919
Name:
NoneFormula:
C62H82O30N6Smiles:
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1Aglycone:
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 36 | RingCount: | 10 |
HBD: | 23 | FractionCSP3: | 0.58 |
AlogP: | -8.22 | Num_rotatable_bonds: | 27 |
MolWt: | 1391.35 | Num_heavy_atoms: | 98 |
TPSA: | 577.95 | NumAromaticRings: | 5 |
Unique Aglycone
AD17127
Formula: C32H32O5N6
Smiles:
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1HBA: | 11 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.19 |
AlogP: | 3.01 | Num_rotatable_bonds: | 12 |
MolWt: | 580.65 | Num_heavy_atoms: | 43 |
TPSA: | 182.2 | NumAromaticRings: | 5 |
Sugarmoiety

SD01945
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O