Glycoside

GD028495
Name:
NoneFormula:
C39H67O14NSmiles:
CC[C@@H]1OC(=O)C[C@H](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@H](CCO)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
HBA: | 15 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.85 |
AlogP: | 1.36 | Num_rotatable_bonds: | 11 |
MolWt: | 773.96 | Num_heavy_atoms: | 54 |
TPSA: | 203.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD00857
Formula: C23H38O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC(C)=CC1COHBA: | 7 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.74 |
AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
MolWt: | 426.55 | Num_heavy_atoms: | 30 |
TPSA: | 124.29 | NumAromaticRings: | 0 |