Glycoside
GD012972
Name:
NoneFormula:
C35H54O10Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@H]3CC[C@]35C(=O)O[C@H](C)[C@H]3CC[C@]45O)C2)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1Aglycone:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2(O)CCC13Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD09737
Formula: C21H30O4
Smiles:
CC1OC(=O)C23CCC4C(CC=C5CC(O)CCC54C)C2(O)CCC13| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
