Glycoside
GD144401
Name:
19-(benzyloxy)-8,17-bis(hydroxymethyl)-1,2,8,15,17-pentamethyl-20-[(5-oxopyrrolidin-3-yl)methyl]-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C49H69O11NSmiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3C=CC5(CC6CN=C(O)C6)C(OCc6ccccc6)C(OC6OCC(O)C(O)C6O)C(C)(CO)C3C45C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3C=CC5(CC6CN=C(O)C6)C(OCc6ccccc6)C(O)C(C)(CO)C3C45C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 848.09 | Num_heavy_atoms: | 61 |
| TPSA: | 198.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD58034
Formula: C44H61O7N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3C=CC5(CC6CN=C(O)C6)C(OCc6ccccc6)C(O)C(C)(CO)C3C45C)C2C1| HBA: | 8 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 7.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 715.97 | Num_heavy_atoms: | 52 |
| TPSA: | 139.81 | NumAromaticRings: | 1 |
