Glycoside
GD037280
Name:
NoneFormula:
C33H36O11N2SSmiles:
O=C(O)c1cc(NC(=S)NCCCCCCO[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12Aglycone:
O=C(O)c1cc(NC(=S)NCCCCCCO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 668.72 | Num_heavy_atoms: | 47 |
| TPSA: | 211.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD23496
Formula: C27H26O6N2S
Smiles:
O=C(O)c1cc(NC(=S)NCCCCCCO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.58 | Num_heavy_atoms: | 36 |
| TPSA: | 132.03 | NumAromaticRings: | 2 |
