Glycoside
GD154391
Name:
Cephalandole CFormula:
C23H24O9N2Smiles:
COC(=O)c1ccccc1N=C(O)c1[nH]c2ccccc2c1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)c1ccccc1N=C(O)c1[nH]c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.45 | Num_heavy_atoms: | 34 |
| TPSA: | 174.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD61330
Formula: C17H14O4N2
Smiles:
COC(=O)c1ccccc1N=C(O)c1[nH]c2ccccc2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.31 | Num_heavy_atoms: | 23 |
| TPSA: | 94.91 | NumAromaticRings: | 3 |
