Glycoside

GD006750
Name:
NoneFormula:
C38H65O12NSmiles:
CCC1OC(=O)C(C)C(O[C@@H]2C[C@@](C)(OC)[C@H](O)C(C)O2)C(C)[C@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OCAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(=O)C1(C)OCSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.89 |
AlogP: | 3.75 | Num_rotatable_bonds: | 8 |
MolWt: | 727.93 | Num_heavy_atoms: | 51 |
TPSA: | 151.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD05551
Formula: C30H51O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(=O)C1(C)OCHBA: | 10 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.87 |
AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
MolWt: | 569.74 | Num_heavy_atoms: | 40 |
TPSA: | 123.99 | NumAromaticRings: | 0 |