Glycoside
GD014583
Name:
NoneFormula:
C44H72O10Smiles:
C=CCO[C@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@]2(O)[C@H](C)C(=O)OCCCCCCCCCCCC)OC[C@H]1OAglycone:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
C=CCOC1C(O)COC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 7.36 | Num_rotatable_bonds: | 19 |
| MolWt: | 761.05 | Num_heavy_atoms: | 54 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD03236
Formula: C34H58O5
Smiles:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 546.83 | Num_heavy_atoms: | 39 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
