Glycoside
GD101020
Name:
NoneFormula:
C18H21O6N5S3Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cc2c(s1)CCCC2Aglycone:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1cc2c(s1)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 499.6 | Num_heavy_atoms: | 32 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD42704
Formula: C13H12O2N5S3
Smiles:
O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1cc2c(s1)CCCC2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.47 | Num_heavy_atoms: | 23 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
