Glycoside

GD010998
Name:
NoneFormula:
C37H68O12N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)C(=NO)[C@H](C)[C@H](O)[C@H]1CAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NO)C(C)C(O)C1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.95 |
AlogP: | 2.93 | Num_rotatable_bonds: | 7 |
MolWt: | 732.95 | Num_heavy_atoms: | 51 |
TPSA: | 189.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD08434
Formula: C29H54O9N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NO)C(C)C(O)C1CHBA: | 11 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.93 |
AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
MolWt: | 574.76 | Num_heavy_atoms: | 40 |
TPSA: | 161.51 | NumAromaticRings: | 0 |