Glycoside
GD140791
Name:
N-{6-[(benzyloxy)methyl]-2-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl}acetamideFormula:
C49H61O15NSmiles:
COC1OC(COCc2ccccc2)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OC2OC(CO)C(O)C(O)C2O)C1N=C(C)OAglycone:
COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.49 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 20 |
| MolWt: | 904.02 | Num_heavy_atoms: | 65 |
| TPSA: | 205.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
