Glycoside
GD147707
Name:
19-hydroxy-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:
C42H63O11NSmiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3C=CC5(CC6CN=C(O)C6)C(O)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(O)C(O)C(C)(CO)C3C45C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 757.96 | Num_heavy_atoms: | 54 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD59148
Formula: C37H55O7N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3C=CC5(CC6CN=C(O)C6)C(O)C(O)C(C)(CO)C3C45C)C2C1| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 625.85 | Num_heavy_atoms: | 45 |
| TPSA: | 150.81 | NumAromaticRings: | 0 |
