Glycoside
GD112849
Name:
NoneFormula:
C40H41O9N3Smiles:
COCCO[C@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H]1n1ccc(NC(=O)c2ccccc2)nc1=OAglycone:
COCCO.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C(Nc1cc[nH]c(=O)n1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 15 |
| MolWt: | 707.78 | Num_heavy_atoms: | 52 |
| TPSA: | 139.6 | NumAromaticRings: | 5 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD05677
Formula: C11H9O2N3
Smiles:
O=C(Nc1cc[nH]c(=O)n1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.21 | Num_heavy_atoms: | 16 |
| TPSA: | 74.85 | NumAromaticRings: | 2 |
AD07921
Formula: C22H22O3
Smiles:
COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
