Glycoside
GD129480
Name:
9-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-19-(methoxymethyl)-6,10,10,14,15,21-hexamethyl-26-azaheptacyclo[15.7.3.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹.0²¹,²âµ]heptacosa-2,23-diene-18-carboxylic acidFormula:
C41H61O10NSmiles:
COCC1CC2(C)CC=CC34C5=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C5(C)CC(CNC23)C14C(=O)OAglycone:
COCC1CC2(C)CC=CC34C5=CCC6C7(C)CCC(O)C(C)(C)C7CCC6(C)C5(C)CC(CNC23)C14C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 727.94 | Num_heavy_atoms: | 52 |
| TPSA: | 175.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD52449
Formula: C35H53O4N
Smiles:
COCC1CC2(C)CC=CC34C5=CCC6C7(C)CCC(O)C(C)(C)C7CCC6(C)C5(C)CC(CNC23)C14C(=O)O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 551.81 | Num_heavy_atoms: | 40 |
| TPSA: | 78.79 | NumAromaticRings: | 0 |
