Glycoside
GD030422
Name:
NoneFormula:
C36H48O13Smiles:
COC(COCCCCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34)CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COC(CO)COCCCCC1=CC=C2C=CC3=CC=CC4=CC=C1C2C34Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 688.77 | Num_heavy_atoms: | 49 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD19685
Formula: C24H28O3
Smiles:
COC(CO)COCCCCC1=CC=C2C=CC3=CC=CC4=CC=C1C2C34| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 364.49 | Num_heavy_atoms: | 27 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
