Glycoside
GD150305
Name:
X-14952BFormula:
C42H69O12NSmiles:
CCC(=O)C(CC)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(OC(=N)O)C(O)C(C)O2)C=CC(C)C(O)C1CAglycone:
CCC(=O)C(CC)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)C(O)C1CSugarmoiety:
CC1OC(O)CC(OC(=N)O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 780.01 | Num_heavy_atoms: | 55 |
| TPSA: | 205.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD60052
Formula: C35H58O8
Smiles:
CCC(=O)C(CC)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(O)C=CC(C)C(O)C1C| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.84 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
