Glycoside

GD013023
Name:
NoneFormula:
C31H52O12N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=NO)[C@H](C)[C@@H]2OC(=O)O[C@]12CAglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NO)C(C)C2OC(=O)OC12CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.87 |
AlogP: | 2.14 | Num_rotatable_bonds: | 5 |
MolWt: | 644.76 | Num_heavy_atoms: | 45 |
TPSA: | 182.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD09771
Formula: C23H37O9N
Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NO)C(C)C2OC(=O)OC12CHBA: | 10 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.83 |
AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
MolWt: | 471.55 | Num_heavy_atoms: | 33 |
TPSA: | 140.95 | NumAromaticRings: | 0 |