Glycoside
GD082200
Name:
NoneFormula:
C16H22O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C1Cc2cc(S(=O)(=O)NCCO)ccc2N1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.43 | Num_heavy_atoms: | 27 |
| TPSA: | 154.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD36914
Formula: C10H12O4N2S
Smiles:
O=C1Cc2cc(S(=O)(=O)NCCO)ccc2N1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.28 | Num_heavy_atoms: | 17 |
| TPSA: | 95.5 | NumAromaticRings: | 1 |
