Glycoside
GD032328
Name:
NoneFormula:
C27H34O11N2S2Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=O)n2CCO)CCCCC4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=c1c2c3c(sc2nc(S)n1CCO)CCCCC3Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.71 | Num_heavy_atoms: | 42 |
| TPSA: | 169.55 | NumAromaticRings: | 2 |
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 |
AD20744
Formula: C13H16O2N2S2
Smiles:
O=c1c2c3c(sc2nc(S)n1CCO)CCCCC3| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.42 | Num_heavy_atoms: | 19 |
| TPSA: | 55.12 | NumAromaticRings: | 2 |
