Glycoside
GD000500
Name:
NoneFormula:
C18H32O7N2Smiles:
CO[C@H](C(=O)NC1CC[C@H](O)CN(C)C1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)CAglycone:
C=CC(C)C.CN1CC(O)CCC(N)C1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 139.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD00557
Formula: C5H10
Smiles:
C=CC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 70.13 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD00558
Formula: C7H14O2N2
Smiles:
CN1CC(O)CCC(N)C1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.2 | Num_heavy_atoms: | 11 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
