Glycoside
GD024389
Name:
NoneFormula:
C40H62O11Smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC[C@H]3[C@]2(C)[C@H](O)[C@]34C[C@H](C(C)(C)OC(C)=O)[C@H](C[C@H](C)[C@H]3[C@]12C)O4Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)C(O)C34CC(C(C)(C)OC(C)=O)C(CC(C)C3C12C)O4Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 718.93 | Num_heavy_atoms: | 51 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD16286
Formula: C35H54O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)C(O)C34CC(C(C)(C)OC(C)=O)C(CC(C)C3C12C)O4| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
