Glycoside
GD020832
Name:
NoneFormula:
C28H38O10Smiles:
C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CCC(=O)OC1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.6 | Num_heavy_atoms: | 38 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD14323
Formula: C22H30O4
Smiles:
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(=O)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.48 | Num_heavy_atoms: | 26 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
