Glycoside
GD110421
Name:
NoneFormula:
C35H48O10N2Smiles:
CC1CC[NH+](Cc2c(O)c(C[NH+]3CCC(C)CC3)c3occ(-c4ccc(O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)c(=O)c3c2O)CC1Aglycone:
CC1CC[NH+](Cc2c(O)c(C[NH+]3CCC(C)CC3)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.77 | Num_heavy_atoms: | 47 |
| TPSA: | 178.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD44639
Formula: C29H38O5N2
Smiles:
CC1CC[NH+](Cc2c(O)c(C[NH+]3CCC(C)CC3)c3occ(-c4ccc(O)cc4)c(=O)c3c2O)CC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.63 | Num_heavy_atoms: | 36 |
| TPSA: | 99.78 | NumAromaticRings: | 3 |
