Glycoside
GD021914
Name:
NoneFormula:
C37H50O14N6Smiles:
COC(CO[C@@H]1O[C@H](C)[C@H](OC)[C@H](OC)[C@H]1O)=C1O[C@H](Oc2ccc(C=C(C)C(=O)NC3C(O)[C@H](n4cnc5c(N(C)C)ncnc54)O[C@H]3CO)cc2)[C@H](O)[C@H]1OAglycone:
COC(CO)=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(O)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 14 |
| MolWt: | 802.84 | Num_heavy_atoms: | 57 |
| TPSA: | 250.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD14912
Formula: C29H36O10N6
Smiles:
COC(CO)=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: | 0.45 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.64 | Num_heavy_atoms: | 45 |
| TPSA: | 214.01 | NumAromaticRings: | 3 |
