Glycoside
GD108129
Name:
NoneFormula:
C24H34O11SSmiles:
C[C@]12CC[C@@H]3c4ccc(OS(O)(O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3c4ccc(OS(O)(O)O)cc4CCC3C1CCC2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.59 | Num_heavy_atoms: | 36 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD44405
Formula: C18H26O5S
Smiles:
CC12CCC3c4ccc(OS(O)(O)O)cc4CCC3C1CCC2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.47 | Num_heavy_atoms: | 24 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
