Glycoside
GD136749
Name:
ethyl 4-methoxy-1-(5-oxopyrrolidin-3-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H-naphtho[2,1-b]furan-7-carboxylateFormula:
C26H31O11NSmiles:
CCOC(=O)C1C=Cc2c(c(OC3OC(CO)C(O)C(O)C3O)c(OC)c3occ(C4CN=C(O)C4)c23)C1Aglycone:
CCOC(=O)C1C=Cc2c(c(O)c(OC)c3occ(C4CN=C(O)C4)c23)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.53 | Num_heavy_atoms: | 38 |
| TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD55277
Formula: C20H21O6N
Smiles:
CCOC(=O)C1C=Cc2c(c(O)c(OC)c3occ(C4CN=C(O)C4)c23)C1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 371.39 | Num_heavy_atoms: | 27 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
