Glycoside

GD128646
Name:
NoneFormula:
C51H94O20Smiles:
CCCCCCCCCC(CCCCCCCC(C)=O)OC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(OCCCC)C(OCCCC)C1OC1OC(C)C(O)C(O)C1OAglycone:
CCCCCCCCCC(O)CCCCCCCC(C)=O.CCCCO.CCCCOSugarmoiety:
CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 20 | RingCount: | 4 |
HBD: | 9 | FractionCSP3: | 0.98 |
AlogP: | 2.81 | Num_rotatable_bonds: | 34 |
MolWt: | 1027.29 | Num_heavy_atoms: | 71 |
TPSA: | 291.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00936
Formula: C4H10O
Smiles:
CCCCOHBA: | 1 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
MolWt: | 74.12 | Num_heavy_atoms: | 5 |
TPSA: | 20.23 | NumAromaticRings: | 0 |
AD02100
Formula: C19H38O2
Smiles:
CCCCCCCCCC(O)CCCCCCCC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.95 |
AlogP: | 5.81 | Num_rotatable_bonds: | 16 |
MolWt: | 298.51 | Num_heavy_atoms: | 21 |
TPSA: | 37.3 | NumAromaticRings: | 0 |