Glycoside
GD135288
Name:
Alpha-D-Gal-(1->4)-Beta-D-Gal-(1->4)-Beta-D-Glc-(1<->1')-Cer(D18:1/24:0)Formula:
C60H113O18NSmiles:
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)CCCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 7.0 | Num_rotatable_bonds: | 47 |
| MolWt: | 1136.55 | Num_heavy_atoms: | 79 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD46411
Formula: C42H83O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 13.52 | Num_rotatable_bonds: | 38 |
| MolWt: | 650.13 | Num_heavy_atoms: | 46 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
