Glycoside
GD090473
Name:
NoneFormula:
C18H23O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CSc2nc3ccccc3c(=O)[nH]2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CSc1nc2ccccc2c(=O)[nH]1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.46 | Num_heavy_atoms: | 29 |
| TPSA: | 154.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD39357
Formula: C12H13O3N3S
Smiles:
O=C(CSc1nc2ccccc2c(=O)[nH]1)NCCO| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.32 | Num_heavy_atoms: | 19 |
| TPSA: | 95.08 | NumAromaticRings: | 2 |
