Glycoside

GD020182
Name:
NoneFormula:
C44H78O11N4Smiles:
CCN(C[C@@H]1COC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)[C@H](O)[C@H](C)CN1C)c1cccnc1Aglycone:
CCN(CC1COC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(O)C(C)CN1C)c1cccnc1Sugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.86 |
AlogP: | 3.56 | Num_rotatable_bonds: | 11 |
MolWt: | 839.12 | Num_heavy_atoms: | 59 |
TPSA: | 164.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD13975
Formula: C36H64O8N4
Smiles:
CCN(CC1COC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(O)C(C)CN1C)c1cccnc1HBA: | 12 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.83 |
AlogP: | 2.64 | Num_rotatable_bonds: | 8 |
MolWt: | 680.93 | Num_heavy_atoms: | 48 |
TPSA: | 137.29 | NumAromaticRings: | 1 |