Glycoside
GD018922
Name:
NoneFormula:
C21H18O7N2Smiles:
O=C(O)[C@@H]1O[C@H](Oc2c3c4c(ccnc4c4ccccc24)C=CN3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1c2c3c(ccnc3c3ccccc13)C=CN2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.38 | Num_heavy_atoms: | 30 |
| TPSA: | 141.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD10240
Formula: C15H10ON2
Smiles:
Oc1c2c3c(ccnc3c3ccccc13)C=CN2| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 234.26 | Num_heavy_atoms: | 18 |
| TPSA: | 45.15 | NumAromaticRings: | 3 |
