Glycoside
GD124777
Name:
N-[2,4-bis(benzyloxy)-6-[(benzyloxy)methyl]-5-[(8-hydroxy-2-phenyl-7-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl)oxy]oxan-3-yl]acetamideFormula:
C69H75O15NSmiles:
CC(O)=NC1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC2OC3COC(c4ccccc4)OC3C(O)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1OCc1ccccc1Aglycone:
COCc1ccccc1.OC1OC2COC(c3ccccc3)OC2C(O)C1O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC(O)=NC1OOC(CO)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 11 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 10.55 | Num_rotatable_bonds: | 25 |
| MolWt: | 1158.35 | Num_heavy_atoms: | 85 |
| TPSA: | 172.81 | 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 |
AD11551
Formula: C13H16O6
Smiles:
OC1OC2COC(c3ccccc3)OC2C(O)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 19 |
| TPSA: | 88.38 | NumAromaticRings: | 1 |
