Glycoside
GD135790
Name:
6-({5-carboxy-17-[2-hydroxy-1-(methylamino)ethyl]-6-(methoxymethyl)-1,8,21,21,26-pentamethyl-2-(3-oxopropyl)heptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C47H71O12NSmiles:
CNC(CO)C1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(OC6OC(C(=O)O)C(O)C(O)C6O)CC1C4(C)C23)C5Aglycone:
CNC(CO)C1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23)C5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 842.08 | Num_heavy_atoms: | 60 |
| TPSA: | 212.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD54902
Formula: C41H63O6N
Smiles:
CNC(CO)C1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23)C5| HBA: | 7 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 6.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 665.96 | Num_heavy_atoms: | 48 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
