Glycoside
GD112433
Name:
NoneFormula:
C35H54O8Smiles:
CC1(C)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CCC2=C3C[C@]4(C)CC[C@@]3(CC[C@@]21C)C(=O)O4Aglycone:
CC12CCC3(CCC4(C)C(=C3C1)CCC1C3(C)CCC(O)C(C)(C)C3CCC14C)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 602.81 | Num_heavy_atoms: | 43 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD44771
Formula: C29H44O3
Smiles:
CC12CCC3(CCC4(C)C(=C3C1)CCC1C3(C)CCC(O)C(C)(C)C3CCC14C)C(=O)O2| HBA: | 3 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 6.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 440.67 | Num_heavy_atoms: | 32 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
