Glycoside
GD004782
Name:
NoneFormula:
C39H60O13Smiles:
C=CC(=C)[C@H](O)C[C@@]1(C)[C@@H]2C[C@H](OC(=O)CCCCCCCCC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@H](OC2OC[C@H](O)[C@H](O)[C@H]2O)C[C@H]1CAglycone:
C=CC(=C)C(O)CC1(C)C(C)CC(O)C23C(=CC(OC(=O)CCCCCCCCC)CC12)C(OC(C)=O)OC3OC(C)=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 17 |
| MolWt: | 736.9 | Num_heavy_atoms: | 52 |
| TPSA: | 187.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD04134
Formula: C34H52O9
Smiles:
C=CC(=C)C(O)CC1(C)C(C)CC(O)C23C(=CC(OC(=O)CCCCCCCCC)CC12)C(OC(C)=O)OC3OC(C)=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 15 |
| MolWt: | 604.78 | Num_heavy_atoms: | 43 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
