Glycoside
GD113750
Name:
NoneFormula:
C41H36O7N2Smiles:
O=C(OC[C@H]1O[C@@H](C2N(c3ccccc3)CCN2c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.c1ccc(N2CCN(c3ccccc3)C2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 668.75 | Num_heavy_atoms: | 50 |
| TPSA: | 94.61 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD44828
Formula: C15H16N2
Smiles:
c1ccc(N2CCN(c3ccccc3)C2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.31 | Num_heavy_atoms: | 17 |
| TPSA: | 6.48 | NumAromaticRings: | 2 |
