Glycoside
GD134145
Name:
ce-108eFormula:
C36H56O13N2Smiles:
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(=N)OAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(C)C(=O)O1)CC(O)C2C(=N)OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 724.85 | Num_heavy_atoms: | 51 |
| TPSA: | 262.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD54270
Formula: C30H45O10N
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CCCC(=O)CC(O)C(C)C(=O)O1)CC(O)C2C(=N)O| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 579.69 | Num_heavy_atoms: | 41 |
| TPSA: | 197.83 | NumAromaticRings: | 0 |
