Glycoside
GD021733
Name:
NoneFormula:
C48H76O16N2Smiles:
CNC(=O)[C@@H]1[C@H](O)C[C@]2(O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](N)[C@H]3O)C[C@H]1O2Aglycone:
CNC(=O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2Sugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.67 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 937.13 | Num_heavy_atoms: | 66 |
| TPSA: | 311.41 | NumAromaticRings: | 0 |
Unique Aglycone
AD14810
Formula: C42H65O13N
Smiles:
CNC(=O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 791.98 | Num_heavy_atoms: | 56 |
| TPSA: | 246.7 | NumAromaticRings: | 0 |
