Glycoside
GD001372
Name:
NoneFormula:
C51H76O18N2Smiles:
CCOC(=O)C=CC[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](COC2OC(C)C(O)C(OC)C2OC)[C@H](CC)OC(=O)C[C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H]1OC1OC(C)C(O)C(N(C)C)C1OAglycone:
CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(OC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 17 |
| MolWt: | 1005.17 | Num_heavy_atoms: | 71 |
| TPSA: | 258.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD01392
Formula: C35H47O11N
Smiles:
CCOC(=O)C=CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(OC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 657.76 | Num_heavy_atoms: | 47 |
| TPSA: | 179.57 | NumAromaticRings: | 1 |
