Glycoside
GD134673
Name:
ethyl 4-methoxy-1-(5-oxopyrrolidin-3-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-hydroxypropyl)oxan-2-yl]oxy}-6H,7H,8H,9H-naphtho[2,1-b]furan-7-carboxylateFormula:
C29H39O12NSmiles:
CCOC(=O)C1CCc2c(c(OC3OC(CO)C(O)C(O)C3(O)CCCO)c(OC)c3occ(C4CN=C(O)C4)c23)C1Aglycone:
CCOC(=O)C1CCc2c(c(O)c(OC)c3occ(C4CN=C(O)C4)c23)C1Sugarmoiety:
OCCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 593.63 | Num_heavy_atoms: | 42 |
| TPSA: | 200.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD50686
Formula: C20H23O6N
Smiles:
CCOC(=O)C1CCc2c(c(O)c(OC)c3occ(C4CN=C(O)C4)c23)C1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.41 | Num_heavy_atoms: | 27 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
