Glycoside
GD001213
Name:
HENRICIOSIDE H2Formula:
C35H58O10Smiles:
CO[C@@H]1[C@@H](O[C@@H]2C=C3[C@H](O)C[C@@]4(O)[C@@H](CC[C@@]5(C)[C@H]4[C@H](O)[C@H](O)[C@@H]5[C@H](C)C=C[C@H](C)[C@H](C)CO)[C@@]3(C)CC2)OC[C@@H](O)[C@H]1OCAglycone:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)COSugarmoiety:
COC1C(O)COC(O)C1OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.84 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD01260
Formula: C28H46O6
Smiles:
CC(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C=C3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
