Glycoside
GD143603
Name:
16-hydroxy-19-methyl-18-{[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),4,6,8,15,18,20-heptaen-14-oneFormula:
C25H26O9N2Smiles:
CC1=C(OC2OC(CO)C(O)C(O)C2O)OC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3C=C12Aglycone:
CC1=C(O)OC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3C=C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 498.49 | Num_heavy_atoms: | 36 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD57749
Formula: C19H16O4N2
Smiles:
CC1=C(O)OC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3C=C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 336.35 | Num_heavy_atoms: | 25 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
