Glycoside
GD141414
Name:
Alpha-D-Gal-(1->4)-Beta-D-Gal-(1->4)-Beta-D-Glc-(1<->1')-Cer(D18:1/26:1(17Z))Formula:
C62H115O18NSmiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(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=CCCCCCCCCCCCCCCCC(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: | 7.55 | Num_rotatable_bonds: | 48 |
| MolWt: | 1162.59 | Num_heavy_atoms: | 81 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD45381
Formula: C44H85O3N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 14.08 | Num_rotatable_bonds: | 39 |
| MolWt: | 676.17 | Num_heavy_atoms: | 48 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
