Glycoside
GD037265
Name:
NoneFormula:
C49H73O17N17SSmiles:
CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)N[C@H](Cc3cn(C[C@@H]4O[C@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CN)[C@H](O)[C@H](O)[C@H]6N)[C@@H](N)C[C@@H](N)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)nn3)C(=O)N[C@H](Cc3c[nH]cn3)C(N)=O)c2)cs1Aglycone:
CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)NC(Cc3cn(C)nn3)C(=O)NC(Cc3c[nH]cn3)C(N)=O)c2)cs1.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: | 8 |
| HBD: | 25 | FractionCSP3: | 0.61 |
| AlogP: | -8.13 | Num_rotatable_bonds: | 24 |
| MolWt: | 1204.29 | Num_heavy_atoms: | 84 |
| TPSA: | 564.65 | 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 |
AD23487
Formula: C27H31O5N11S
Smiles:
CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)NC(Cc3cn(C)nn3)C(=O)NC(Cc3c[nH]cn3)C(N)=O)c2)cs1| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 621.68 | Num_heavy_atoms: | 44 |
| TPSA: | 231.77 | NumAromaticRings: | 4 |
