Glycoside
GD081512
Name:
NoneFormula:
C18H29O8N3Smiles:
COCCO[C@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@H]1Cc1cnn(C)c1Aglycone:
COCCOC1CCNC1Cc1cnn(C)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 415.44 | Num_heavy_atoms: | 29 |
| TPSA: | 154.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD36696
Formula: C12H21O2N3
Smiles:
COCCOC1CCNC1Cc1cnn(C)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 239.32 | Num_heavy_atoms: | 17 |
| TPSA: | 48.31 | NumAromaticRings: | 1 |
