Glycoside
GD110404
Name:
NoneFormula:
C35H48O10N2Smiles:
C[C@@H]1CCCC[N@H+]1Cc1c(O)c(C[N@@H+]2CCCC[C@H]2C)c2occ(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1OAglycone:
CC1CCCC[NH+]1Cc1c(O)c(C[NH+]2CCCCC2C)c2occ(-c3ccc(O)cc3)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.77 | Num_heavy_atoms: | 47 |
| TPSA: | 178.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD44635
Formula: C29H38O5N2
Smiles:
CC1CCCC[NH+]1Cc1c(O)c(C[NH+]2CCCCC2C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.63 | Num_heavy_atoms: | 36 |
| TPSA: | 99.78 | NumAromaticRings: | 3 |
