Glycoside
GD115061
Name:
leptolyngbyalide aFormula:
C46H76O15Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2(C)CC(OC)CC(OC)C3(CO3)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)C3(CO3)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: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 869.1 | Num_heavy_atoms: | 61 |
| TPSA: | 193.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD45451
Formula: C41H68O11
Smiles:
COC1CC(C)OC(CCC(C)C(O)C(C)C2(C)CC(OC)CC(OC)C3(CO3)C(OC)CC3CC=CC(CC(O)CC=C(C)C=CC(=O)O2)O3)C1| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 736.98 | Num_heavy_atoms: | 52 |
| TPSA: | 134.67 | NumAromaticRings: | 0 |
