Glycoside
GD106403
Name:
NoneFormula:
C27H40O11Smiles:
C[C@]12CC[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COAglycone:
CC12CCC(O)CC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.61 | Num_heavy_atoms: | 38 |
| TPSA: | 191.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD44133
Formula: C21H32O5
Smiles:
CC12CCC(O)CC1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
