Glycoside
GD136926
Name:
N-[4-(benzyloxy)-6-{[4-(benzyloxy)-2-{[3-(benzyloxy)-5-formamido-2-methoxy-6-methyloxan-4-yl]oxy}-5-formamido-6-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl]formamideFormula:
C43H55O13N3Smiles:
COC1OC(C)C(N=CO)C(OC2OC(C)C(N=CO)C(OCc3ccccc3)C2OC2OC(C)C(N=CO)C(OCc3ccccc3)C2O)C1OCc1ccccc1Aglycone:
OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(C)C(N=CO)C(OC2OC(C)C(N=CO)C(O)C2OC2OC(C)C(N=CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 17 |
| MolWt: | 821.92 | Num_heavy_atoms: | 59 |
| TPSA: | 201.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
