Glycoside
GD031350
Name:
NoneFormula:
C19H25O6N3Smiles:
COc1cccc(NC(=O)[C@H](O)[C@H](O)C(=O)N2CCC3(CCNC3=O)CC2)c1Aglycone:
COc1cccc(N)c1.O=C1NCCC12CCNCC2Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.42 | Num_heavy_atoms: | 28 |
| TPSA: | 128.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD05175
Formula: C8H14ON2
Smiles:
O=C1NCCC12CCNCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD20206
Formula: C7H9ON
Smiles:
COc1cccc(N)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
