Glycoside
GD140584
Name:
2-{[15-(4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl)-7-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H64O10Smiles:
COC(C)(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(OC2OC(CO)C(O)C(O)C2O)C13CAglycone:
COC(C)(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.91 | Num_heavy_atoms: | 47 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD56683
Formula: C31H54O5
Smiles:
COC(C)(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(O)C(C)(C)C2CC(O)C13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.77 | Num_heavy_atoms: | 36 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
