Glycoside
GD011184
Name:
CadambineFormula:
C27H32O10N2Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN4CCc5c([nH]c6ccccc56)C4(CC12)O3Aglycone:
COC(=O)C1=COC(O)C2C3CN4CCc5c([nH]c6ccccc56)C4(CC12)O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 544.56 | Num_heavy_atoms: | 39 |
| TPSA: | 163.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD08573
Formula: C21H22O5N2
Smiles:
COC(=O)C1=COC(O)C2C3CN4CCc5c([nH]c6ccccc56)C4(CC12)O3| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.42 | Num_heavy_atoms: | 28 |
| TPSA: | 84.02 | NumAromaticRings: | 2 |
