Glycoside
GD121040
Name:
NoneFormula:
C32H38O10N2Smiles:
CC(C)C(CNCC1(O)C(Oc2ccc3c(c2)OCC(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1O)CC1=CC[NH+]=C1Aglycone:
CNCC(CC1=CC[NH+]=C1)C(C)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: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 610.66 | Num_heavy_atoms: | 44 |
| TPSA: | 188.98 | 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 |
AD48684
Formula: C11H21N2
Smiles:
CNCC(CC1=CC[NH+]=C1)C(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 181.3 | Num_heavy_atoms: | 13 |
| TPSA: | 26.0 | NumAromaticRings: | 0 |
