Glycoside

GD028205
Name:
NoneFormula:
C50H88O21N10Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)CAglycone:
CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 2 |
HBD: | 18 | FractionCSP3: | 0.8 |
AlogP: | -6.85 | Num_rotatable_bonds: | 29 |
MolWt: | 1165.3 | Num_heavy_atoms: | 81 |
TPSA: | 483.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD18463
Formula: C36H65O11N9
Smiles:
CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)OHBA: | 20 | RingCount: | 0 |
HBD: | 12 | FractionCSP3: | 0.75 |
AlogP: | -2.64 | Num_rotatable_bonds: | 22 |
MolWt: | 799.97 | Num_heavy_atoms: | 56 |
TPSA: | 316.35 | NumAromaticRings: | 0 |