Glycoside
GD108332
Name:
NoneFormula:
C30H42O10Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@@]5(C)C(=O)[C@@H](O)[C@H]3[C@@H]2[C@]45O)O[C@@H](C)[C@@H]1OAglycone:
CC12CCC(O)CC1CC1OC3CC(C4=CC(=O)OC4)C4(C)C(=O)C(O)C2C1C34OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 140.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD44377
Formula: C23H30O7
Smiles:
CC12CCC(O)CC1CC1OC3CC(C4=CC(=O)OC4)C4(C)C(=O)C(O)C2C1C34O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
