Glycoside
GD142964
Name:
3-{4-[(3,4-dihydroxy-5-{methoxy[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]methylidene}oxolan-2-yl)oxy]phenyl}-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-2-methylprop-2-enamideFormula:
C37H50O14N6Smiles:
COC(OC1OC(C)C(OC)C(OC)C1OC)=C1OC(Oc2ccc(C=C(C)C(O)=NC3C(CO)OC(n4cnc5c(N(C)C)ncnc54)C3O)cc2)C(O)C1OAglycone:
COC(O)=C1OC(Oc2ccc(C=C(C)C(O)=NC3C(CO)OC(n4cnc5c(N(C)C)ncnc54)C3O)cc2)C(O)C1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 14 |
| MolWt: | 802.84 | Num_heavy_atoms: | 57 |
| TPSA: | 243.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD57519
Formula: C28H34O10N6
Smiles:
COC(O)=C1OC(Oc2ccc(C=C(C)C(O)=NC3C(CO)OC(n4cnc5c(N(C)C)ncnc54)C3O)cc2)C(O)C1O| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.61 | Num_heavy_atoms: | 44 |
| TPSA: | 217.5 | NumAromaticRings: | 3 |
