Glycoside
GD123113
Name:
Alpha-D-Gal-(1->4)-Beta-D-Gal-(1->4)-Beta-D-Glc-(1<->1')-Cer(D18:1/24:1(15Z))Formula:
C60H111O18NSmiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | 6.77 | Num_rotatable_bonds: | 46 |
| MolWt: | 1134.54 | Num_heavy_atoms: | 79 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD47285
Formula: C42H81O3N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 13.3 | Num_rotatable_bonds: | 37 |
| MolWt: | 648.11 | Num_heavy_atoms: | 46 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
