Glycoside
GD013572
Name:
NoneFormula:
C39H70O16N2Smiles:
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(OC(=O)O)C1(C)OC(=O)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(OC(=O)O)C1(C)OC(=O)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 822.99 | Num_heavy_atoms: | 57 |
| TPSA: | 255.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD10103
Formula: C31H56O13N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(OC(=O)O)C1(C)OC(=O)O| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.79 | Num_heavy_atoms: | 46 |
| TPSA: | 227.77 | NumAromaticRings: | 0 |
