Glycoside
GD030244
Name:
NoneFormula:
C69H104O6N6Smiles:
CCCCCCCCC=CCCCCCCCCn1cc(COC[C@@H]2O[C@H](OCc3cn(CCCCCCCCC=CCCCCCCCC)nn3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1Aglycone:
CCCCCCCCC=CCCCCCCCCn1cc(CO)nn1.CCCCCCCCC=CCCCCCCCCn1cc(COC)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 17.16 | Num_rotatable_bonds: | 48 |
| MolWt: | 1113.63 | Num_heavy_atoms: | 81 |
| TPSA: | 116.8 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD19576
Formula: C21H39ON3
Smiles:
CCCCCCCCC=CCCCCCCCCn1cc(CO)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 17 |
| MolWt: | 349.56 | Num_heavy_atoms: | 25 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
AD19577
Formula: C22H41ON3
Smiles:
CCCCCCCCC=CCCCCCCCCn1cc(COC)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 6.46 | Num_rotatable_bonds: | 18 |
| MolWt: | 363.59 | Num_heavy_atoms: | 26 |
| TPSA: | 39.94 | NumAromaticRings: | 1 |
