Glycoside
GD017919
Name:
NoneFormula:
C36H46O13Smiles:
C=C(C(=O)OC1C(CO)OC(OCC2CC[C@@H]3C[C@]4(OC(=O)C3=C)C(C)=CC(=O)C24)C(O)C1O)[C@@H]1CCC(CO)C2C(=O)C=C(C)[C@@]2(O)C1Aglycone:
C=C(C(=O)O)C1CCC(CO)C2C(=O)C=C(C)C2(O)C1.C=C1C(=O)OC23CC1CCC(CO)C2C(=O)C=C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 686.75 | Num_heavy_atoms: | 49 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD12729
Formula: C15H20O5
Smiles:
C=C(C(=O)O)C1CCC(CO)C2C(=O)C=C(C)C2(O)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
AD12730
Formula: C15H18O4
Smiles:
C=C1C(=O)OC23CC1CCC(CO)C2C(=O)C=C3C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.31 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
