Glycoside
GD120584
Name:
N-[4-(benzyloxy)-2-{[4,5-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-{[4,5-bis(benzyloxy)-2-hydroxy-6-methyloxan-3-yl]oxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideFormula:
C62H71O15NSmiles:
CC(O)=NC1C(OC2C(COCc3ccccc3)OC(OC3C(O)OC(C)C(OCc4ccccc4)C3OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)OC(CO)C(O)C1OCc1ccccc1Aglycone:
COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(O)=NC1C(OC2C(O)OC(OC3C(O)OC(C)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 25 |
| MolWt: | 1070.24 | Num_heavy_atoms: | 78 |
| TPSA: | 194.81 | NumAromaticRings: | 6 |
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 |
