Glycoside
GD123441
Name:
1-ethenyl-10,11-dihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,7,8,12b,13,13a-octahydro-1H-6-azatetraphen-5-oneFormula:
C25H31O9NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)CC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21Aglycone:
C=CC1C(O)CC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 489.52 | Num_heavy_atoms: | 35 |
| TPSA: | 160.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD49817
Formula: C19H21O4N
Smiles:
C=CC1C(O)CC=C2C(=O)N3CCc4cc(O)c(O)cc4C3CC21| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 327.38 | Num_heavy_atoms: | 24 |
| TPSA: | 81.0 | NumAromaticRings: | 1 |
