Glycoside
GD119637
Name:
NoneFormula:
C41H42O13N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(C5(O)CCCC5)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
OC1CCCC1.[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 812.81 | Num_heavy_atoms: | 59 |
| TPSA: | 286.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD45279
Formula: C5H10O
Smiles:
OC1CCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
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 |
