Glycoside
GD126835
Name:
CalanthosideFormula:
C20H27O11NSmiles:
OCC1OC(OCC2OC(Oc3c[nH]c4ccccc34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1c[nH]c2ccccc12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.43 | Num_heavy_atoms: | 32 |
| TPSA: | 194.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD07461
Formula: C8H7ON
Smiles:
Oc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 36.02 | NumAromaticRings: | 2 |
