Glycoside
GD124130
Name:
NoneFormula:
C34H43O10N3Smiles:
C[NH2+]CCC(C)C(CNCC1(O)C(Oc2ccc3c(c2)OCC(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1O)CC1=CCN=C1Aglycone:
CNCC(CC1=CCN=C1)C(C)CC[NH2+]C.O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 13 |
| MolWt: | 653.73 | Num_heavy_atoms: | 47 |
| TPSA: | 203.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD45187
Formula: C15H11O4
Smiles:
O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 255.25 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD50123
Formula: C13H26N3
Smiles:
CNCC(CC1=CCN=C1)C(C)CC[NH2+]C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 224.37 | Num_heavy_atoms: | 16 |
| TPSA: | 41.0 | NumAromaticRings: | 0 |
