Glycoside
GD120383
Name:
NoneFormula:
C36H39O12N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.39 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 733.73 | Num_heavy_atoms: | 53 |
| TPSA: | 265.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD47760
Formula: C30H29O7N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3ccccc3C4=O)C2N1| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.59 | Num_heavy_atoms: | 42 |
| TPSA: | 186.81 | NumAromaticRings: | 3 |
