Glycoside
GD134486
Name:
N-[4-(benzyloxy)-2-{[4-(benzyloxy)-2-[(benzyloxy)methyl]-6-{[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-methoxyoxan-3-yl]oxy}-5-acetamidooxan-3-yl]oxy}-6-[(benzyloxy)methyl]-5-hydroxyoxan-3-yl]acetamideFormula:
C72H82O16N2Smiles:
COC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC1OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(O)C(OCc3ccccc3)C2N=C(C)O)C(OCc2ccccc2)C1N=C(C)OAglycone:
COCc1ccccc1.COCc1ccccc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(O)OOC1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 10.62 | Num_rotatable_bonds: | 31 |
| MolWt: | 1231.45 | Num_heavy_atoms: | 90 |
| TPSA: | 205.4 | NumAromaticRings: | 7 |
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 |
