Glycoside
GD143899
Name:
18-{2-[4-amino-1-(1H-imidazol-4-yl)butyl]-5-oxopyrrolidin-3-yl}-20-hydroxy-7,22-bis(hydroxymethyl)-7,22,26,27-tetramethyl-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[17.7.1.0¹,¹â¶.0â´,¹³.0âµ,¹â°.0¹³,²â¶.0²³,²â·]heptacosa-3,16-diene-10-carboxylic acidFormula:
C50H74O11N4Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6CC(O)=NC6C(CCCN)c6cnc[nH]6)C6C(O)C(OC7OCC(O)C(O)C7O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67CAglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6CC(O)=NC6C(CCCN)c6cnc[nH]6)C6C(O)C(O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.82 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 907.16 | Num_heavy_atoms: | 65 |
| TPSA: | 264.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD57852
Formula: C45H66O7N4
Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6CC(O)=NC6C(CCCN)c6cnc[nH]6)C6C(O)C(O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67C| HBA: | 11 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 775.04 | Num_heavy_atoms: | 56 |
| TPSA: | 205.51 | NumAromaticRings: | 1 |
