Glycoside
GD017549
Name:
NoneFormula:
C34H43O18N3SSmiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C=NNC(N)=S)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.NC(=S)NN=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 813.79 | Num_heavy_atoms: | 56 |
| TPSA: | 271.43 | 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 |
AD02163
Formula: C8H9ON3S
Smiles:
NC(=S)NN=Cc1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 195.25 | Num_heavy_atoms: | 13 |
| TPSA: | 70.64 | NumAromaticRings: | 1 |
