Glycoside
GD103302
Name:
NoneFormula:
C18H21O7N2BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C(=O)c2c[nH]c3ccc(Br)cc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C(=O)c1c[nH]c2ccc(Br)cc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.28 | Num_heavy_atoms: | 28 |
| TPSA: | 141.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD43721
Formula: C12H11O3N2Br
Smiles:
O=C(NCCO)C(=O)c1c[nH]c2ccc(Br)cc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.14 | Num_heavy_atoms: | 18 |
| TPSA: | 82.19 | NumAromaticRings: | 2 |
