Glycoside
GD116529
Name:
NoneFormula:
C39H40O14N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 14 |
| MolWt: | 802.77 | Num_heavy_atoms: | 58 |
| TPSA: | 306.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD46293
Formula: C31H26O8N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.58 | Num_heavy_atoms: | 44 |
| TPSA: | 207.27 | NumAromaticRings: | 3 |
