Glycoside
GD117243
Name:
NoneFormula:
C40H47O14N5Smiles:
NC1N=C(O)C2NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2N1Aglycone:
NC1N=C(O)C2NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.45 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 821.84 | Num_heavy_atoms: | 59 |
| TPSA: | 306.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD46715
Formula: C34H37O9N5
Smiles:
NC1N=C(O)C2NCN(c3ccccc3C(CCCO)c3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 659.7 | Num_heavy_atoms: | 48 |
| TPSA: | 227.27 | NumAromaticRings: | 3 |
