Glycoside
GD002347
Name:
NoneFormula:
C59H91O22N18S3Smiles:
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)NC(C)C)cs2)cs1)C(C)O)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)C1OC1O[C@H](CO)C(O)[C@H](OC(N)=O)[C@H]1O)c1c[nH]cn1Aglycone:
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)NC(C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1Sugarmoiety:
NC(=O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 6 |
| HBD: | 26 | FractionCSP3: | 0.63 |
| AlogP: | -7.81 | Num_rotatable_bonds: | 38 |
| MolWt: | 1500.68 | Num_heavy_atoms: | 102 |
| TPSA: | 656.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD02248
Formula: C46H70O11N17S3
Smiles:
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)NC(C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1| HBA: | 28 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.54 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 31 |
| MolWt: | 1133.37 | Num_heavy_atoms: | 77 |
| TPSA: | 465.78 | NumAromaticRings: | 4 |
