Glycoside
GD129021
Name:
Cantleyoside-Methyl-HemiacetalFormula:
C34H50O20Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CC(O)OCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC(O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 778.75 | Num_heavy_atoms: | 54 |
| TPSA: | 299.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD52258
Formula: C22H30O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC(O)OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.47 | Num_heavy_atoms: | 32 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
