Glycoside
GD029599
Name:
NoneFormula:
C32H39O8N3Br2Smiles:
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(C(=O)NN)cc1.NC1c2ccccc2CC1OSugarmoiety:
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: | 0.41 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 753.49 | Num_heavy_atoms: | 45 |
| 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 |
AD09669
Formula: C11H16ON2
Smiles:
CC(C)(C)c1ccc(C(=O)NN)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.26 | Num_heavy_atoms: | 14 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
