Glycoside
GD156403
Name:
9-hydroxy-7,18-bis(hydroxymethyl)-2,3,7,11,18-pentamethyl-10-[(5-oxopyrrolidin-3-yl)methyl]-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹âµ.0³,¹².0â¶,¹¹.0²â°,²âµ]pentacos-14-ene-25-carboxylic acidFormula:
C43H67O11NSmiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(CC5CN=C(O)C5)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC2(C)C13CAglycone:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(CC5CN=C(O)C5)C(O)C(O)C(C)(CO)C4CCC2(C)C13CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 774.01 | Num_heavy_atoms: | 55 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD61937
Formula: C38H59O7N
Smiles:
CC1(CO)CC2CCCC3CC2(C(=O)O)C(C1)C1=CCC2C4(C)C(CC5CN=C(O)C5)C(O)C(O)C(C)(CO)C4CCC2(C)C13C| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 641.89 | Num_heavy_atoms: | 46 |
| TPSA: | 150.81 | NumAromaticRings: | 0 |
