Glycoside

GD023846
Name:
NoneFormula:
C71H100O12Smiles:
CCCCCC[C@H](O)CCC[C@H](O)[C@@H]1CC[C@H]([C@@H]2CC[C@H]([C@H](CCCCCCCCCCCCC3=C[C@H](C)OC3=O)OC[C@@H]3O[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)O2)O1Aglycone:
CCCCCCC(O)CCCC(O)C1CCC(C2CCC(C(CCCCCCCCCCCCC3=CC(C)OC3=O)OC)O2)O1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 8 |
HBD: | 2 | FractionCSP3: | 0.62 |
AlogP: | 14.58 | Num_rotatable_bonds: | 40 |
MolWt: | 1145.57 | Num_heavy_atoms: | 83 |
TPSA: | 140.6 | NumAromaticRings: | 4 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1HBA: | 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 |
AD15996
Formula: C38H68O7
Smiles:
CCCCCCC(O)CCCC(O)C1CCC(C2CCC(C(CCCCCCCCCCCCC3=CC(C)OC3=O)OC)O2)O1HBA: | 7 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.92 |
AlogP: | 8.51 | Num_rotatable_bonds: | 26 |
MolWt: | 636.96 | Num_heavy_atoms: | 45 |
TPSA: | 94.45 | NumAromaticRings: | 0 |