Glycoside
GD084773
Name:
NoneFormula:
C16H18O6N3ClSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc3c(Cl)ncnc3s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc2c(Cl)ncnc2s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.84 | Num_heavy_atoms: | 26 |
| TPSA: | 134.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD37914
Formula: C10H8O2N3ClS
Smiles:
O=C(NCCO)c1cc2c(Cl)ncnc2s1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 257.7 | Num_heavy_atoms: | 16 |
| TPSA: | 75.11 | NumAromaticRings: | 2 |
