Glycoside
GD020486
Name:
NoneFormula:
C22H32O9N3BrSmiles:
CC(C)(C)OC(=O)NCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=OAglycone:
CC(C)(C)OC(=O)NCCCCCC(=O)O.O=c1[nH]cc(C=CBr)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.41 | Num_heavy_atoms: | 35 |
| TPSA: | 169.18 | NumAromaticRings: | 1 |
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 |
AD14140
Formula: C11H21O4N
Smiles:
CC(C)(C)OC(=O)NCCCCCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 231.29 | Num_heavy_atoms: | 16 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
