Glycoside
GD154229
Name:
NoneFormula:
C43H49O11N3Smiles:
CCc1ccccc1C=CCC(C)C(CNCC1(O)C(Oc2ccc3c(c2)OC(C(=[NH2+])O)C(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1O)CC1=CCN=C1Aglycone:
CCc1ccccc1C=CCC(C)C(CNC)CC1=CCN=C1.[NH2+]=C(O)C1Oc2cc(O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 15 |
| MolWt: | 783.88 | Num_heavy_atoms: | 57 |
| TPSA: | 233.19 | NumAromaticRings: | 2 |
Unique Aglycone
AD47937
Formula: C16H13O5N
Smiles:
[NH2+]=C(O)C1Oc2cc(O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 299.28 | Num_heavy_atoms: | 22 |
| TPSA: | 112.58 | NumAromaticRings: | 1 |
AD52299
Formula: C21H30N2
Smiles:
CCc1ccccc1C=CCC(C)C(CNC)CC1=CCN=C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 310.49 | Num_heavy_atoms: | 23 |
| TPSA: | 24.39 | NumAromaticRings: | 1 |
