Glycoside
GD126433
Name:
5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,4,5,6,7,8,8a-octahydroazulen-2-oneFormula:
C21H34O9Smiles:
CC1=C2CC(O)(C(C)(C)O)C(OC3OC(CO)C(O)C(O)C3O)CC(C)C2CC1=OAglycone:
CC1=C2CC(O)(C(C)(C)O)C(O)CC(C)C2CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51158
Formula: C15H24O4
Smiles:
CC1=C2CC(O)(C(C)(C)O)C(O)CC(C)C2CC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
