Glycoside
GD130742
Name:
LeucanicidinFormula:
C42H70O13Smiles:
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(OC3OC(C)C(O)C(O)C3OC)C(C)C(C(C)C)O2)OC1=OAglycone:
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=OSugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 182.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD52973
Formula: C35H58O9
Smiles:
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
