Glycoside
GD120744
Name:
6-(hydroxymethyl)-1,2,14-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10,12-dioxapentacyclo[9.6.1.1âµ,â¸.0²,â¸.0¹â´,¹â¸]nonadecan-13-oneFormula:
C27H42O10Smiles:
CC12CCCC3(C)C1C(OCC14CC(CCC13C)C(CO)(OC1OC(CO)C(O)C(O)C1O)C4)OC2=OAglycone:
CC12CCCC3(C)C1C(OCC14CC(CCC13C)C(O)(CO)C4)OC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.62 | Num_heavy_atoms: | 37 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48539
Formula: C21H32O5
Smiles:
CC12CCCC3(C)C1C(OCC14CC(CCC13C)C(O)(CO)C4)OC2=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
