Glycoside
GD013821
Name:
NoneFormula:
C29H29O10N3SSmiles:
O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 611.63 | Num_heavy_atoms: | 43 |
| TPSA: | 193.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD10253
Formula: C23H21O4N3S
Smiles:
O=C(O)CCc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)nc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 435.51 | Num_heavy_atoms: | 31 |
| TPSA: | 97.47 | NumAromaticRings: | 4 |
