Glycoside
GD015587
Name:
NoneFormula:
C32H36O8N4Br2Smiles:
O=C(CCc1c[nH]c2ccccc12)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)CCc1c[nH]c2ccccc12Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(OCC=CBr)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.34 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 764.47 | Num_heavy_atoms: | 46 |
| TPSA: | 182.24 | NumAromaticRings: | 3 |
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 |
AD11312
Formula: C11H13ON3
Smiles:
NNC(=O)CCc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 70.91 | NumAromaticRings: | 2 |
