Glycoside
GD137124
Name:
13-{[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy}-8,11-dihydroxy-12-methyl-5-(prop-1-en-1-yl)-3,9-diazatricyclo[8.4.0.0³,â·]tetradeca-1(10),4,6,11,13-pentaen-2-oneFormula:
C24H31O7N3Smiles:
CC=Cc1cc2n(c1)C(=O)c1cc(OC3OC(C)C(NC)C(C)(O)C3O)c(C)c(O)c1NC2OAglycone:
CC=Cc1cc2n(c1)C(=O)c1cc(O)c(C)c(O)c1NC2OSugarmoiety:
CNC1C(C)OC(O)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 473.53 | Num_heavy_atoms: | 34 |
| TPSA: | 145.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD55414
Formula: C16H16O4N2
Smiles:
CC=Cc1cc2n(c1)C(=O)c1cc(O)c(C)c(O)c1NC2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 94.72 | NumAromaticRings: | 2 |
