Glycoside
GD134795
Name:
"(18R)-18-O- -D-Glucopyranosyl-(1-3)-B[ -D-Glucopyranosyl-(1-2)]-B -D-Glucopyranoside Of Allo-Murolic Acid"Formula:
C39H66O20Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C1C(=O)OAglycone:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C(=O)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 24 |
| MolWt: | 854.94 | Num_heavy_atoms: | 59 |
| TPSA: | 321.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD45041
Formula: C21H36O5
Smiles:
C=C1C(=O)OC(CCCCCCCCCCCCCC(C)O)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 15 |
| MolWt: | 368.51 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
