Glycoside
GD129419
Name:
19-ethenyl-7,18-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8-tetraen-14-oneFormula:
C32H42O14N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OCC2C(=O)N3CCc4c([nH]c5ccc(OC6OC(CO)C(O)C(O)C6O)cc45)C3CC21Aglycone:
C=CC1C(O)OCC2C(=O)N3CCc4c([nH]c5ccc(O)cc45)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.66 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.69 | Num_heavy_atoms: | 48 |
| TPSA: | 244.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD52428
Formula: C20H22O4N2
Smiles:
C=CC1C(O)OCC2C(=O)N3CCc4c([nH]c5ccc(O)cc45)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 354.41 | Num_heavy_atoms: | 26 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
