Glycoside
GD098922
Name:
NoneFormula:
C20H31O6N3BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](c2cccc(Br)c2)N2CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C(c1cccc(Br)c1)N1CC[NH2+]CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.39 | Num_heavy_atoms: | 30 |
| TPSA: | 128.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD42089
Formula: C14H21O2N3Br
Smiles:
O=C(NCCO)C(c1cccc(Br)c1)N1CC[NH2+]CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.25 | Num_heavy_atoms: | 20 |
| TPSA: | 69.18 | NumAromaticRings: | 1 |
