Glycoside
GD036890
Name:
NoneFormula:
C55H77O17N17SSmiles:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)N[C@H](Cc4cn(C[C@@H]5O[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CN)[C@H](O)[C@H](O)[C@H]7N)[C@@H](N)C[C@@H](N)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CN)[C@H](O)[C@H](O)[C@H]5N)nn4)C(=O)N[C@H](Cc4c[nH]cn4)C(N)=O)c3)cs2)cc1Aglycone:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)NC(Cc4cn(C)nn4)C(=O)NC(Cc4c[nH]cn4)C(N)=O)c3)cs2)cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 9 |
| HBD: | 25 | FractionCSP3: | 0.55 |
| AlogP: | -6.53 | Num_rotatable_bonds: | 25 |
| MolWt: | 1280.39 | Num_heavy_atoms: | 90 |
| TPSA: | 564.65 | NumAromaticRings: | 5 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD23258
Formula: C33H35O5N11S
Smiles:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)NC(Cc4cn(C)nn4)C(=O)NC(Cc4c[nH]cn4)C(N)=O)c3)cs2)cc1| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 15 |
| MolWt: | 697.78 | Num_heavy_atoms: | 50 |
| TPSA: | 231.77 | NumAromaticRings: | 5 |
