Glycoside
GD033305
Name:
NoneFormula:
C38H38O9N4Smiles:
COc1ccc(C(OC[C@@H]2O[C@H](n3cc4c(nc3=O)Nc3c(OCCN)cccc3O4)[C@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.NCCOc1cccc2c1Nc1nc(=O)[nH]cc1O2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 694.74 | Num_heavy_atoms: | 51 |
| TPSA: | 168.78 | NumAromaticRings: | 5 |
Unique Aglycone
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
AD21273
Formula: C12H12O3N4
Smiles:
NCCOc1cccc2c1Nc1nc(=O)[nH]cc1O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 102.26 | NumAromaticRings: | 2 |
