Glycoside
GD071550
Name:
NoneFormula:
C12H19O6N3S3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)CSc2n[nH]c(=S)s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CSc1n[nH]c(=S)s1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.5 | Num_heavy_atoms: | 24 |
| TPSA: | 136.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD33623
Formula: C6H9O2N3S3
Smiles:
O=C(CSc1n[nH]c(=S)s1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 251.36 | Num_heavy_atoms: | 14 |
| TPSA: | 78.01 | NumAromaticRings: | 1 |
