Glycoside
GD154526
Name:
Croceaine BFormula:
C27H28O9N2Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(c3nccc4c3[nH]c3ccccc34)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(c3nccc4c3[nH]c3ccccc34)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.53 | Num_heavy_atoms: | 38 |
| TPSA: | 163.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD61367
Formula: C21H18O4N2
Smiles:
COC(=O)C1=COC(O)C2C(c3nccc4c3[nH]c3ccccc34)=CCC12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.39 | Num_heavy_atoms: | 27 |
| TPSA: | 84.44 | NumAromaticRings: | 3 |
