Glycoside
GD131928
Name:
Alpha-D-Gal-(1->4)-Beta-D-Gal-(1->4)-Beta-D-Glc-(1<->1')-Cer(D18:1/18:0)Formula:
C54H101O18NSmiles:
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)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCSugarmoiety:
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: | 0.94 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 1052.39 | Num_heavy_atoms: | 73 |
| TPSA: | 310.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD45243
Formula: C36H71O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 11.18 | Num_rotatable_bonds: | 32 |
| MolWt: | 565.97 | Num_heavy_atoms: | 40 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
