Glycoside
GD108623
Name:
NoneFormula:
C23H24O10N2S2Smiles:
CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccncc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1NC(=S)SC1=Cc1ccncc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.58 | Num_heavy_atoms: | 37 |
| TPSA: | 147.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44459
Formula: C9H6ON2S2
Smiles:
O=C1NC(=S)SC1=Cc1ccncc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.29 | Num_heavy_atoms: | 14 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
