Glycoside
GD090658
Name:
NoneFormula:
C16H20O8NBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2c(Br)ccc3c2OCO3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1c(Br)ccc2c1OCO2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.24 | Num_heavy_atoms: | 26 |
| TPSA: | 126.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD39454
Formula: C10H10O4NBr
Smiles:
O=C(NCCO)c1c(Br)ccc2c1OCO2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.1 | Num_heavy_atoms: | 16 |
| TPSA: | 67.79 | NumAromaticRings: | 1 |
