Glycoside
GD132104
Name:
Shimofuridin AFormula:
C34H44O12N4Smiles:
CCCC=CC=CC(=O)OC(C)C=CCC=CC=CC(=O)OC1C(C)OC(OC2C(O)C(CO)OC2n2cnc3c(O)ncnc32)C(O)C1OAglycone:
CCCC=CC=CC(=O)OC(C)C=CCC=CC=CC(=O)O.Oc1ncnc2c1N=C[N]2Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 15 |
| MolWt: | 700.74 | Num_heavy_atoms: | 50 |
| TPSA: | 225.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD53482
Formula: C18H24O4
Smiles:
CCCC=CC=CC(=O)OC(C)C=CCC=CC=CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 304.39 | Num_heavy_atoms: | 22 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
