Glycoside
GD005065
Name:
NoneFormula:
C31H32O10N2Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(C(=O)Nc4ccccc4)c(=O)oc3c2C)OC1(C)CAglycone:
Cc1c(O)ccc2c(O)c(C(=O)Nc3ccccc3)c(=O)oc12.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.6 | Num_heavy_atoms: | 43 |
| TPSA: | 169.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD04339
Formula: C17H13O5N
Smiles:
Cc1c(O)ccc2c(O)c(C(=O)Nc3ccccc3)c(=O)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.29 | Num_heavy_atoms: | 23 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
