Glycoside
GD129186
Name:
N-[6-(benzyloxy)-8-[(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]-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamideFormula:
C62H67O15NSmiles:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC1OC2COC(c3ccccc3)OC2C(O)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC1OC2COC(c3ccccc3)OC2C(O)C1O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 11 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 8.86 | Num_rotatable_bonds: | 19 |
| MolWt: | 1066.21 | Num_heavy_atoms: | 78 |
| TPSA: | 172.81 | NumAromaticRings: | 6 |
Unique Aglycone
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 |
AD52330
Formula: C35H39O11N
Smiles:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC1OC2COC(c3ccccc3)OC2C(O)C1O| HBA: | 12 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 649.69 | Num_heavy_atoms: | 47 |
| TPSA: | 146.89 | NumAromaticRings: | 3 |
