Glycoside
GD101939
Name:
NoneFormula:
C17H24O8NBrSmiles:
COc1cc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(OC)cc1BrAglycone:
COc1cc(C(=O)NCCO)c(OC)cc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.28 | Num_heavy_atoms: | 27 |
| TPSA: | 126.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD43157
Formula: C11H14O4NBr
Smiles:
COc1cc(C(=O)NCCO)c(OC)cc1Br| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.14 | Num_heavy_atoms: | 17 |
| TPSA: | 67.79 | NumAromaticRings: | 1 |
