Glycoside
GD131556
Name:
Acanthacerebroside BFormula:
C44H87O10NSmiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 7.95 | Num_rotatable_bonds: | 38 |
| MolWt: | 790.18 | Num_heavy_atoms: | 55 |
| TPSA: | 192.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD45101
Formula: C38H77O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.13 | Num_rotatable_bonds: | 35 |
| MolWt: | 628.04 | Num_heavy_atoms: | 44 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
