Glycoside
GD122479
Name:
Durantoside IiiFormula:
C28H36O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(OC)c1)C2(C)OAglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(OC)c1)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 220.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD49358
Formula: C22H26O10
Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccc(OC)c(OC)c1)C2(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 140.98 | NumAromaticRings: | 1 |
