Glycoside
GD138844
Name:
2-hydroxy-2,6,7-trimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9-oxatricyclo[6.3.1.0¹,âµ]dodecan-10-oneFormula:
C21H34O9Smiles:
CC1C2CC3(CC(=O)O2)C(CCC3(C)O)C1(C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1C2CC3(CC(=O)O2)C(CCC3(C)O)C1(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56017
Formula: C15H24O4
Smiles:
CC1C2CC3(CC(=O)O2)C(CCC3(C)O)C1(C)CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
