Glycoside
GD012403
Name:
NoneFormula:
C40H48O15N2Smiles:
COC(=O)CNC(=O)C(C)N(C(=O)CC1OC(COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(O)C(O)C1O)C(CCC(=O)O)C(=O)OAglycone:
COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)O.COCCCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 21 |
| MolWt: | 796.82 | Num_heavy_atoms: | 57 |
| TPSA: | 247.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD04273
Formula: C22H22O3
Smiles:
COCCCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 334.42 | Num_heavy_atoms: | 25 |
| TPSA: | 27.69 | NumAromaticRings: | 3 |
AD07575
Formula: C13H20O8N2
Smiles:
COC(=O)CNC(=O)C(C)N(C(C)=O)C(CCC(=O)O)C(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 150.31 | NumAromaticRings: | 0 |
