Glycoside
GD118758
Name:
4-methoxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.0²,â¶.0â¶,¹â°.0¹âµ,¹â¹]icosa-1(13),4,14,19-tetraen-3-yl 1-methyl 2,3-dihydroxy-3-(3-methylbutyl)butanedioateFormula:
C28H35O10NSmiles:
COC(=O)C(O)C(O)(CCC(C)C)C(=O)OC1C(OC)=CC23CCC(=O)N2CCc2cc4c(cc2C13)OCO4Aglycone:
CCC(C)C.COC1=CC23CCC(=O)N2CCc2cc4c(cc2C3C1)OCO4Sugarmoiety:
COC(=O)C(O)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 545.59 | Num_heavy_atoms: | 39 |
| TPSA: | 141.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00195
Formula: C5H12
Smiles:
CCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 72.15 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD47514
Formula: C18H19O4N
Smiles:
COC1=CC23CCC(=O)N2CCc2cc4c(cc2C3C1)OCO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 313.35 | Num_heavy_atoms: | 23 |
| TPSA: | 48.0 | NumAromaticRings: | 1 |
