Glycoside
GD015806
Name:
NoneFormula:
C34H35O8N4ClSSmiles:
COc1cc(C2=NOC(CO[C@@H]3O[C@H](Cn4c(SCc5ccccc5)nnc4-c4ccc(Cl)cc4)[C@H](O)[C@H]3O)C2)cc(OC)c1OCAglycone:
COc1cc(C2=NOC(CO)C2)cc(OC)c1OC.Cn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 683.18 | Num_heavy_atoms: | 47 |
| TPSA: | 138.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD11440
Formula: C13H17O5N
Smiles:
COc1cc(C2=NOC(CO)C2)cc(OC)c1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.28 | Num_heavy_atoms: | 19 |
| TPSA: | 69.51 | NumAromaticRings: | 1 |
AD11441
Formula: C17H14N3ClS
Smiles:
Cn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.83 | Num_heavy_atoms: | 21 |
| TPSA: | 30.71 | NumAromaticRings: | 3 |
