Glycoside

GD011440
Name:
NoneFormula:
C40H72O28N2Smiles:
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(COCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCO)(COCOCCO)COCOCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 30 | RingCount: | 3 |
HBD: | 14 | FractionCSP3: | 0.93 |
AlogP: | -8.89 | Num_rotatable_bonds: | 35 |
MolWt: | 1029.0 | Num_heavy_atoms: | 70 |
TPSA: | 438.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD08750
Formula: C22H42O13N2
Smiles:
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCO)(COCOCCO)COCOCCOHBA: | 15 | RingCount: | 0 |
HBD: | 5 | FractionCSP3: | 0.86 |
AlogP: | -2.36 | Num_rotatable_bonds: | 26 |
MolWt: | 542.58 | Num_heavy_atoms: | 37 |
TPSA: | 200.57 | NumAromaticRings: | 0 |