Glycoside
GD152621
Name:
Leucospilotaside CFormula:
C35H54O13SSmiles:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(OC5OCC(OS(=O)(=O)O)C(O)C5O)C6(C)C)C3(C)CCC24O)O1Aglycone:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1.O=S(=O)(O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 714.87 | Num_heavy_atoms: | 49 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD03787
Formula: C30H46O6
Smiles:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
