Glycoside
GD027206
Name:
NoneFormula:
C21H26O13N2Smiles:
O=C(O)CC[C@H](NC(=O)CC1OC(CNc2cc(C(=O)O)cc(C(=O)O)c2)C(O)C(O)C1O)C(=O)OAglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNc1cc(C(=O)O)cc(C(=O)O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 514.44 | Num_heavy_atoms: | 36 |
| TPSA: | 260.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD01099
Formula: C7H11O5N
Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 189.17 | Num_heavy_atoms: | 13 |
| TPSA: | 103.7 | NumAromaticRings: | 0 |
AD17903
Formula: C9H9O4N
Smiles:
CNc1cc(C(=O)O)cc(C(=O)O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 195.17 | Num_heavy_atoms: | 14 |
| TPSA: | 86.63 | NumAromaticRings: | 1 |
