Glycoside
GD116141
Name:
Dipsanoside CFormula:
C36H52O21Smiles:
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)C1CC1OCC(CO)O1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC1OCC(CO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 820.79 | Num_heavy_atoms: | 57 |
| TPSA: | 308.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46072
Formula: C24H32O11
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C(C(=O)OC)=COC(O)C3C2C)C1CC1OCC(CO)O1| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.51 | Num_heavy_atoms: | 35 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
