Glycoside
GD012578
Name:
NoneFormula:
C30H35O8N3Br2Smiles:
O=C(CCc1ccccc1)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)CCc1ccccc1Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(OCC=CBr)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 15 |
| MolWt: | 725.43 | Num_heavy_atoms: | 43 |
| TPSA: | 166.45 | NumAromaticRings: | 2 |
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 |
AD02357
Formula: C9H12ON2
Smiles:
NNC(=O)CCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
