Glycoside
GD095294
Name:
NoneFormula:
C20H30O9N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2=C([C@H]3CCCO3)S[C@@H]3[C@@H]([C@@H](C)O)C(=O)N23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(O)C1C(=O)N2C(C(=O)NCCO)=C(C3CCCO3)SC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.53 | Num_heavy_atoms: | 32 |
| TPSA: | 158.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD40669
Formula: C14H20O5N2S
Smiles:
CC(O)C1C(=O)N2C(C(=O)NCCO)=C(C3CCCO3)SC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.39 | Num_heavy_atoms: | 22 |
| TPSA: | 99.1 | NumAromaticRings: | 0 |
