Glycoside
GD030150
Name:
NoneFormula:
C32H29O10N5S2Smiles:
COc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3cc5cc(OC)ccc5oc3=O)n4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2c1Aglycone:
COc1ccc2oc(=O)c(CSC3=Nc4c(nc(N)nc4SCc4cc5cc(OC)ccc5oc4=O)[N]3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 707.74 | Num_heavy_atoms: | 49 |
| TPSA: | 218.42 | NumAromaticRings: | 6 |
Unique Aglycone
AD19526
Formula: C27H20O6N5S2
Smiles:
COc1ccc2oc(=O)c(CSC3=Nc4c(nc(N)nc4SCc4cc5cc(OC)ccc5oc4=O)[N]3)cc2c1| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.62 | Num_heavy_atoms: | 40 |
| TPSA: | 157.14 | NumAromaticRings: | 5 |
