Glycoside
GD153479
Name:
Rosellin AFormula:
C30H37O17N3Smiles:
CC(=O)OC1CCC=c2c(O)nc(=CC(=O)c3cc(OC4OC(CO)C(O)C(O)C4O)cc(OC4OC(CO)C(O)C(O)C4O)c3N)c(=O)n21Aglycone:
CC(=O)OC1CCC=c2c(O)nc(=CC(=O)c3cc(O)cc(O)c3N)c(=O)n21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -5.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 711.63 | Num_heavy_atoms: | 50 |
| TPSA: | 323.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD56523
Formula: C18H17O7N3
Smiles:
CC(=O)OC1CCC=c2c(O)nc(=CC(=O)c3cc(O)cc(O)c3N)c(=O)n21| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 387.35 | Num_heavy_atoms: | 28 |
| TPSA: | 164.97 | NumAromaticRings: | 2 |
