Glycoside
GD018947
Name:
NoneFormula:
C51H84O16Smiles:
CCCOC(=O)[C@@]12CC[C@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
CCCOC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 953.22 | Num_heavy_atoms: | 67 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD13278
Formula: C33H54O3
Smiles:
CCCOC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 7.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 498.79 | Num_heavy_atoms: | 36 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
