Glycoside
GD009796
Name:
NoneFormula:
C20H21O8N2BrSmiles:
COc1ccc(CC(=O)O[C@@H]2[C@H](O)[C@H](CO)O[C@H]2n2cc(C=CBr)c(=O)[nH]c2=O)cc1Aglycone:
COc1ccc(CC(=O)O)cc1.O=c1[nH]cc(C=CBr)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.3 | Num_heavy_atoms: | 31 |
| TPSA: | 140.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD00265
Formula: C6H5O2N2Br
Smiles:
O=c1[nH]cc(C=CBr)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 217.02 | Num_heavy_atoms: | 11 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07654
Formula: C9H10O3
Smiles:
COc1ccc(CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
