Glycoside
GD090783
Name:
NoneFormula:
C17H22O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)Cc2c[nH]c3ncc(Br)cc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(Cc1c[nH]c2ncc(Br)cc12)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.28 | Num_heavy_atoms: | 27 |
| TPSA: | 136.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD39521
Formula: C11H12O2N3Br
Smiles:
O=C(Cc1c[nH]c2ncc(Br)cc12)NCCO| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.14 | Num_heavy_atoms: | 17 |
| TPSA: | 78.01 | NumAromaticRings: | 2 |
