Glycoside
GD127549
Name:
6-{[6-(benzyloxy)-7-acetamido-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-2-phenyl-7-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl benzoateFormula:
C69H71O16NSmiles:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC1OC2COC(c3ccccc3)OC2C(OC(=O)c2ccccc2)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Aglycone:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC1OC2COC(c3ccccc3)OC2C(OC(=O)c2ccccc2)C1O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 12 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 10.72 | Num_rotatable_bonds: | 21 |
| MolWt: | 1170.32 | Num_heavy_atoms: | 86 |
| TPSA: | 178.88 | NumAromaticRings: | 7 |
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 |
AD51651
Formula: C42H43O12N
Smiles:
CC(O)=NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC1OC2COC(c3ccccc3)OC2C(OC(=O)c2ccccc2)C1O| HBA: | 13 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 753.8 | Num_heavy_atoms: | 55 |
| TPSA: | 152.96 | NumAromaticRings: | 4 |
