Glycoside
GD014161
Name:
NoneFormula:
C61H88O21N18S2Smiles:
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)NCCCN[C@H](C)c3ccccc3)cs2)cs1)C(C)O)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](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)NCCCNC(C)c3ccccc3)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: | 39 | RingCount: | 7 |
| HBD: | 26 | FractionCSP3: | 0.56 |
| AlogP: | -6.23 | Num_rotatable_bonds: | 37 |
| MolWt: | 1473.61 | Num_heavy_atoms: | 102 |
| TPSA: | 639.1 | NumAromaticRings: | 5 |
Unique Aglycone
AD00353
Formula: C48H67O10N17S2
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)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1| HBA: | 27 | RingCount: | 5 |
| HBD: | 19 | FractionCSP3: | 0.46 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 30 |
| MolWt: | 1106.31 | Num_heavy_atoms: | 77 |
| TPSA: | 448.71 | NumAromaticRings: | 5 |
