Glycoside
GD017853
Name:
NoneFormula:
C23H29O8N3Br2Smiles:
CC(=O)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:
CC(=O)NN.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(OCC=CBr)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 635.31 | Num_heavy_atoms: | 36 |
| TPSA: | 166.45 | 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 |
AD12692
Formula: C2H6ON2
Smiles:
CC(=O)NN| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
