Glycoside
GD092035
Name:
NoneFormula:
C22H31O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3c(c2)C2(CC[NH2+]CC2)CC3=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc2c(c1)C1(CC[NH2+]CC1)CC2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.5 | Num_heavy_atoms: | 31 |
| TPSA: | 141.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD40171
Formula: C16H21O3N2
Smiles:
O=C(NCCO)c1ccc2c(c1)C1(CC[NH2+]CC1)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.36 | Num_heavy_atoms: | 21 |
| TPSA: | 83.01 | NumAromaticRings: | 1 |
