Glycoside
GD030214
Name:
NoneFormula:
C52H75O17N15SSmiles:
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](C)C(N)=O)c3)cs2)cc1Aglycone:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)NC(Cc4cn(C)nn4)C(=O)NC(C)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: | 32 | RingCount: | 8 |
| HBD: | 24 | FractionCSP3: | 0.58 |
| AlogP: | -6.48 | Num_rotatable_bonds: | 23 |
| MolWt: | 1214.33 | Num_heavy_atoms: | 85 |
| TPSA: | 535.97 | NumAromaticRings: | 4 |
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 |
AD19564
Formula: C30H33O5N9S
Smiles:
Cc1ccc(C(=O)Nc2nc(-c3cccc(NC(=O)CCC(=O)NC(Cc4cn(C)nn4)C(=O)NC(C)C(N)=O)c3)cs2)cc1| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 13 |
| MolWt: | 631.72 | Num_heavy_atoms: | 45 |
| TPSA: | 203.09 | NumAromaticRings: | 4 |
