Glycoside
GD137853
Name:
BrachycerineFormula:
C27H34O10N2Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C1NCCc2c1[nH]c1ccccc21Aglycone:
COC(=O)C1=COC(O)C2C1CC(O)C2C1NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 182.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD55673
Formula: C21H24O5N2
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2C1NCCc2c1[nH]c1ccccc21| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 103.81 | NumAromaticRings: | 2 |
