Glycoside

GD002434
Name:
NoneFormula:
C41H79O11N3Smiles:
CCN(CC)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)CN1CAglycone:
CCN(CC)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)CN1CSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.98 |
AlogP: | 2.98 | Num_rotatable_bonds: | 11 |
MolWt: | 790.09 | Num_heavy_atoms: | 55 |
TPSA: | 152.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD02331
Formula: C33H65O8N3
Smiles:
CCN(CC)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)CN1CHBA: | 11 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.97 |
AlogP: | 2.06 | Num_rotatable_bonds: | 8 |
MolWt: | 631.9 | Num_heavy_atoms: | 44 |
TPSA: | 124.4 | NumAromaticRings: | 0 |