Glycoside
GD137587
Name:
NoneFormula:
C33H35O11N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.36 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 677.67 | Num_heavy_atoms: | 49 |
| TPSA: | 259.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD55575
Formula: C27H25O6N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.22 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 515.53 | Num_heavy_atoms: | 38 |
| TPSA: | 180.74 | NumAromaticRings: | 3 |
