Glycoside
GD024317
Name:
NoneFormula:
C34H56O12Smiles:
CO[C@@]1(O[C@H](CCC(C)(C)O)[C@@](C)(O)[C@@H]2CC[C@]3(O)C4=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@@]5(C)[C@H]4CC[C@]23C)COC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
COC1(O)COCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.81 | Num_heavy_atoms: | 46 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD16244
Formula: C27H44O7
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
