Glycoside
GD132039
Name:
Karlotoxin-2Formula:
C68H121O24ClSmiles:
C=C(CCC(O)C1OC(CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(O)CCCC(O)C=CCC(O)CO)C(O)C(O)C1O)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCCCC=CC=CCl)O1Aglycone:
C=C(CCCO)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCCCC=CC=CCl)O1.CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(O)CCCC(O)C=CCC(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 2 |
| HBD: | 22 | FractionCSP3: | 0.85 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 50 |
| MolWt: | 1346.13 | Num_heavy_atoms: | 92 |
| TPSA: | 463.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD09729
Formula: C34H68O12
Smiles:
CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(O)CCCC(O)C=CCC(O)CO| HBA: | 12 | RingCount: | 0 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 28 |
| MolWt: | 668.91 | Num_heavy_atoms: | 46 |
| TPSA: | 242.76 | NumAromaticRings: | 0 |
AD52269
Formula: C29H47O8Cl
Smiles:
C=C(CCCO)C(O)C(O)C1CC(O)C(O)C(C(O)C(O)C=CCCCCCCCCC=CC=CCl)O1| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 19 |
| MolWt: | 547.13 | Num_heavy_atoms: | 37 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
