Glycoside
GD132180
Name:
[5-(5-{[N-(4,5-dimethoxycyclopent-2-en-1-yl)acetamido]methyl}-2-(dimethylamino)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethoxyoxolan-2-yl]methyl acetateFormula:
C28H41O9N5Smiles:
COc1nc(N(C)C)nc2c1c(CN(C(C)=O)C1C=CC(OC)C1OC)cn2C1OC(COC(C)=O)C(OC)C1OCAglycone:
COC(C)=O.COc1nc(N(C)C)nc2c1C(CN(C(C)=O)C1C=CC(OC)C1OC)=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 591.66 | Num_heavy_atoms: | 42 |
| TPSA: | 135.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53511
Formula: C19H26O4N5
Smiles:
COc1nc(N(C)C)nc2c1C(CN(C(C)=O)C1C=CC(OC)C1OC)=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.45 | Num_heavy_atoms: | 28 |
| TPSA: | 91.12 | NumAromaticRings: | 1 |
