Glycoside
GD131665
Name:
7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-17-(methoxymethyl)-2,6,6,10,19,19-hexamethyl-22-oxo-21-azahexacyclo[14.7.2.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-13-ene-16-carboxylic acidFormula:
C39H59O11NSmiles:
COCC1CC(C)(C)C2N=C(O)CC34CCC1(C(=O)O)C2C3=CCC1C2(C)CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C2CCC14CAglycone:
COCC1CC(C)(C)C2N=C(O)CC34CCC1(C(=O)O)C2C3=CCC1C2(C)CCC(O)C(C)(C)C2CCC14CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 717.9 | Num_heavy_atoms: | 51 |
| TPSA: | 195.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD53324
Formula: C33H51O5N
Smiles:
COCC1CC(C)(C)C2N=C(O)CC34CCC1(C(=O)O)C2C3=CCC1C2(C)CCC(O)C(C)(C)C2CCC14C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 6.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 541.77 | Num_heavy_atoms: | 39 |
| TPSA: | 99.35 | NumAromaticRings: | 0 |
