Glycoside
GD084507
Name:
NoneFormula:
C14H19O7N2BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2c[nH]c(=O)c(Br)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1c[nH]c(=O)c(Br)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.22 | Num_heavy_atoms: | 24 |
| TPSA: | 141.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD37748
Formula: C8H9O3N2Br
Smiles:
O=C(NCCO)c1c[nH]c(=O)c(Br)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.07 | Num_heavy_atoms: | 14 |
| TPSA: | 82.19 | NumAromaticRings: | 1 |
