Glycoside
GD157947
Name:
ce-108bFormula:
C37H58O13N2Smiles:
CCC1C(=O)OC(C)CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CCCC(=O)CC1O)CC(O)C2C(=N)OAglycone:
CCC1C(=O)OC(C)CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC1O)CC(O)C2C(=N)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 738.87 | Num_heavy_atoms: | 52 |
| TPSA: | 262.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD62385
Formula: C31H47O10N
Smiles:
CCC1C(=O)OC(C)CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC1O)CC(O)C2C(=N)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 593.71 | Num_heavy_atoms: | 42 |
| TPSA: | 197.83 | NumAromaticRings: | 0 |
