Glycoside
GD093701
Name:
NoneFormula:
C21H46O7N4Smiles:
CC[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3O[C@H](C[NH2+]C)CC[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)OAglycone:
C[NH2+]CC1CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1Sugarmoiety:
CCC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -5.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.62 | Num_heavy_atoms: | 32 |
| TPSA: | 197.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD40419
Formula: C13H32O4N4
Smiles:
C[NH2+]CC1CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.42 | Num_heavy_atoms: | 21 |
| TPSA: | 158.45 | NumAromaticRings: | 0 |
