Glycoside
GD024088
Name:
NoneFormula:
C23H19O5N3SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(-c4cccc5c4Oc4ccccc4S5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Cc2c(ncnc2-c2cccc3c2Oc2ccccc2S3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 449.49 | Num_heavy_atoms: | 32 |
| TPSA: | 109.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD16123
Formula: C18H10ON3S
Smiles:
C1=Cc2c(ncnc2-c2cccc3c2Oc2ccccc2S3)[N]1| HBA: | 4 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.37 | Num_heavy_atoms: | 23 |
| TPSA: | 49.11 | NumAromaticRings: | 3 |
