Glycoside
GD134781
Name:
Beta-D-Galactosyl-(1->4)-Beta-D-Glucosyl-(1<->1)-N-[(15Z)-Tetracosenoyl]SphingosineFormula:
C54H101O13NSmiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 8.95 | Num_rotatable_bonds: | 43 |
| MolWt: | 972.4 | Num_heavy_atoms: | 68 |
| TPSA: | 231.35 | 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 |
