Glycoside
GD015567
Name:
NoneFormula:
C28H38O9N4Br2Smiles:
O=C(CCN1CCOCC1)NNC(=O)[C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)C(=O)N[C@@H]1c2ccccc2C[C@H]1OAglycone:
NC1c2ccccc2CC1O.NNC(=O)CCN1CCOCC1Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(OCC=CBr)C(=O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 15 |
| MolWt: | 734.44 | Num_heavy_atoms: | 43 |
| TPSA: | 178.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD11301
Formula: C7H15O2N3
Smiles:
NNC(=O)CCN1CCOCC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 173.22 | Num_heavy_atoms: | 12 |
| TPSA: | 67.59 | NumAromaticRings: | 0 |
