Glycoside
GD112520
Name:
NoneFormula:
C35H39O8N3Smiles:
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
CC(C)C(=O)Nc1cc[nH]c(=O)n1.COc1ccc(C(OC)(c2ccccc2)c2ccc(OC)cc2)cc1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.34 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 629.71 | Num_heavy_atoms: | 46 |
| TPSA: | 130.37 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD44772
Formula: C8H11O2N3
Smiles:
CC(C)C(=O)Nc1cc[nH]c(=O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 74.85 | NumAromaticRings: | 1 |
