Glycoside
GD093030
Name:
NoneFormula:
C24H28O8Smiles:
C[C@]12CC[C@H]3C(=CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc43)[C@@H]1CCC2=OAglycone:
CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40383
Formula: C18H20O2
Smiles:
CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 268.36 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
