Glycoside
GD150788
Name:
ce-108dFormula:
C36H55O14NSmiles:
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(C)C(=O)O1)CC(O)C2C(=O)OAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(C)C(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 725.83 | Num_heavy_atoms: | 51 |
| TPSA: | 255.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD60195
Formula: C30H44O11
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(C)C(=O)O1)CC(O)C2C(=O)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 580.67 | Num_heavy_atoms: | 41 |
| TPSA: | 191.05 | NumAromaticRings: | 0 |
