Glycoside
GD132094
Name:
ethyl 4-(cyclohexyloxy)-1-(5-oxopyrrolidin-3-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H,8H,9H-naphtho[2,1-b]furan-7-carboxylateFormula:
C31H41O11NSmiles:
CCOC(=O)C1CCc2c(c(OC3OC(CO)C(O)C(O)C3O)c(OC3CCCCC3)c3occ(C4CN=C(O)C4)c23)C1Aglycone:
CCOC(=O)C1CCc2c(c(O)c(OC3CCCCC3)c3occ(C4CN=C(O)C4)c23)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 603.67 | Num_heavy_atoms: | 43 |
| TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD53478
Formula: C25H31O6N
Smiles:
CCOC(=O)C1CCc2c(c(O)c(OC3CCCCC3)c3occ(C4CN=C(O)C4)c23)C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.52 | Num_heavy_atoms: | 32 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
