Glycoside
GD011321
Name:
NoneFormula:
C41H39O6N3Smiles:
COc1ccc(O[C@H](c2cnc(N)nc2)[C@H](Oc2ccc(OC)cc2)[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Aglycone:
COc1ccccc1.COc1ccccc1.Nc1ncccn1.c1ccc(C(c2ccccc2)c2ccccc2)cc1Sugarmoiety:
COO.OOCC(O)OC(O)OOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 7.01 | Num_rotatable_bonds: | 15 |
| MolWt: | 669.78 | Num_heavy_atoms: | 50 |
| TPSA: | 118.18 | NumAromaticRings: | 6 |
Unique Aglycone
AD00247
Formula: C7H8O
Smiles:
COc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00424
Formula: C19H16
Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1| HBA: | 0 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.34 | Num_heavy_atoms: | 19 |
| TPSA: | 0.0 | NumAromaticRings: | 3 |
AD08663
Formula: C4H5N3
Smiles:
Nc1ncccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.1 | Num_heavy_atoms: | 7 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
