Glycoside
GD131354
Name:
Alpha-D-Gal-(1->4)-Beta-D-Gal-(1->4)-Beta-D-Glc-(1<->1')-Cer(D18:1/23:0)Formula:
C59H111O18NSmiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 0.95 |
| AlogP: | 6.61 | Num_rotatable_bonds: | 46 |
| MolWt: | 1122.53 | Num_heavy_atoms: | 78 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD47431
Formula: C41H81O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 13.13 | Num_rotatable_bonds: | 37 |
| MolWt: | 636.1 | Num_heavy_atoms: | 45 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
