Glycoside
GD069096
Name:
NoneFormula:
C15H20O6N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cc3[nH]ccc3s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cc2[nH]ccc2s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.4 | Num_heavy_atoms: | 24 |
| TPSA: | 124.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD32756
Formula: C9H10O2N2S
Smiles:
O=C(NCCO)c1cc2[nH]ccc2s1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.26 | Num_heavy_atoms: | 14 |
| TPSA: | 65.12 | NumAromaticRings: | 2 |
