Glycoside
GD087457
Name:
NoneFormula:
C15H21O10N3SSmiles:
Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c2c(C)noc2n1Aglycone:
COS(O)(O)O.Cc1cc(C(N)=O)c2c(C)noc2n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.41 | Num_heavy_atoms: | 29 |
| TPSA: | 207.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD31546
Formula: C9H9O2N3
Smiles:
Cc1cc(C(N)=O)c2c(C)noc2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.01 | NumAromaticRings: | 2 |
