Glycoside
GD123681
Name:
2-(4-{14,16-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H56O10Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.81 | Num_heavy_atoms: | 44 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD45737
Formula: C28H46O5
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.67 | Num_heavy_atoms: | 33 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
