Glycoside
GD117750
Name:
6-{[6-(benzyloxy)-7-acetamido-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-4-{[4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-acetamidooxan-2-yl]oxy}-5-acetamido-2-methyloxan-3-yl acetateFormula:
C61H71O16N3Smiles:
CC(=O)OC1C(C)OC(OC2C(N=C(C)O)C(OCc3ccccc3)OC3COC(c4ccccc4)OC32)C(N=C(C)O)C1OC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1N=C(C)OAglycone:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1O.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(N=C(C)O)C1OC1OC(O)C(O)C(O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 8.64 | Num_rotatable_bonds: | 22 |
| MolWt: | 1102.24 | Num_heavy_atoms: | 80 |
| TPSA: | 225.6 | NumAromaticRings: | 5 |
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 |
AD46988
Formula: C22H25O6N
Smiles:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.44 | Num_heavy_atoms: | 29 |
| TPSA: | 89.74 | NumAromaticRings: | 2 |
