Glycoside
GD028802
Name:
NoneFormula:
C31H34O10N2S2Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=c1c2c3c(sc2nc(S)n1-c1ccccc1)CCCCC3Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 658.75 | Num_heavy_atoms: | 45 |
| TPSA: | 149.32 | NumAromaticRings: | 3 |
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 |
AD18778
Formula: C17H16ON2S2
Smiles:
O=c1c2c3c(sc2nc(S)n1-c1ccccc1)CCCCC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.46 | Num_heavy_atoms: | 22 |
| TPSA: | 34.89 | NumAromaticRings: | 3 |
