Glycoside
GD004010
Name:
NoneFormula:
C20H28O8N4SSmiles:
NC[C@@H]1O[C@H](O[C@H](CNCc2cccs2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2OC(C(O)CNCc3cccs3)CC2O)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.53 | Num_heavy_atoms: | 33 |
| TPSA: | 181.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03562
Formula: C15H19O5N3S
Smiles:
O=c1ccn(C2OC(C(O)CNCc3cccs3)CC2O)c(=O)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 116.58 | NumAromaticRings: | 2 |
