Glycoside
GD117220
Name:
Beta-D-Galactosyl-(1<->1')-N-[(17Z)-Hexacosenoyl]SphinganineFormula:
C50H97O8NSmiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 12.13 | Num_rotatable_bonds: | 43 |
| MolWt: | 840.32 | Num_heavy_atoms: | 59 |
| TPSA: | 152.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD45739
Formula: C44H87O3N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 14.3 | Num_rotatable_bonds: | 40 |
| MolWt: | 678.18 | Num_heavy_atoms: | 48 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
