Glycoside
GD140630
Name:
leptolyngbyalide bFormula:
C46H78O15Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2(C)CC(OC)CC(OC)C(CO)C(OC)CC3CC=CC(CC(OC4OCC(O)C(O)C4O)CC=C(C)C=CC(=O)O2)O3)C1Aglycone:
COC1CC(C)OC(CCC(C)C(O)C(C)C2(C)CC(OC)CC(OC)C(CO)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O3)C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 13 |
| MolWt: | 871.12 | Num_heavy_atoms: | 61 |
| TPSA: | 201.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD56698
Formula: C41H70O11
Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2(C)CC(OC)CC(OC)C(CO)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O3)C1| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 739.0 | Num_heavy_atoms: | 52 |
| TPSA: | 142.37 | NumAromaticRings: | 0 |
