Glycoside
GD013019
Name:
NoneFormula:
C29H41O8N5Br2Smiles:
CN1CCN(CCC(=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:
CN1CCN(CCC(=O)NN)CC1.NC1c2ccccc2CC1OSugarmoiety:
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: | 0.55 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 747.48 | Num_heavy_atoms: | 44 |
| TPSA: | 172.93 | 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 |
AD09768
Formula: C8H18ON4
Smiles:
CN1CCN(CCC(=O)NN)CC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 186.26 | Num_heavy_atoms: | 13 |
| TPSA: | 61.6 | NumAromaticRings: | 0 |
