Glycoside
GD091392
Name:
NoneFormula:
C21H31O9NSmiles:
COc1cc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1OC1CCOCC1Aglycone:
COc1cc(C(=O)NCCO)ccc1OC1CCOCC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.48 | Num_heavy_atoms: | 31 |
| TPSA: | 135.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD39873
Formula: C15H21O5N
Smiles:
COc1cc(C(=O)NCCO)ccc1OC1CCOCC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 295.34 | Num_heavy_atoms: | 21 |
| TPSA: | 77.02 | NumAromaticRings: | 1 |
