Glycoside
GD015307
Name:
NoneFormula:
C19H21O7N3Smiles:
O=c1ccn([C@@H]2O[C@H](CNCC3=Cc4cc(O)ccc4OC3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNCC1=Cc2cc(O)ccc2OC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.39 | Num_heavy_atoms: | 29 |
| TPSA: | 146.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD07063
Formula: C11H13O2N
Smiles:
CNCC1=Cc2cc(O)ccc2OC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.23 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
