Glycoside
GD110401
Name:
NoneFormula:
C35H47O10N2Smiles:
C[C@@H]1CCCCN1Cc1c(O)c(C[N@H+]2CCCC[C@H]2C)c(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12Aglycone:
CC1CCCCN1Cc1c(O)c(C[NH+]2CCCCC2C)c(O)c2c(=O)c(-c3ccc(O)cc3)coc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 655.77 | Num_heavy_atoms: | 47 |
| TPSA: | 177.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD44634
Formula: C29H37O5N2
Smiles:
CC1CCCCN1Cc1c(O)c(C[NH+]2CCCCC2C)c(O)c2c(=O)c(-c3ccc(O)cc3)coc12| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.62 | Num_heavy_atoms: | 36 |
| TPSA: | 98.58 | NumAromaticRings: | 3 |
