Glycoside
GD023653
Name:
NoneFormula:
C51H70O22N2Smiles:
COC1C(OC2OC(C)C(O)C(C)(O)C2OC)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([N+](=O)[O-])C(OC5OC(C)C(O)C(C)(O)C5OC)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OAglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([N+](=O)[O-])C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)OSugarmoiety:
COC1C(O)OC(C)C(O)C1(C)O.COC1C(O)OC(C)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 1063.11 | Num_heavy_atoms: | 75 |
| TPSA: | 323.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD15889
Formula: C35H42O14N2
Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(ccc4c2OC2OC4(C)C(OC4CC(C)([N+](=O)[O-])C(O)C(C)O4)C(N(C)C)C2O)C3=O)CC1(C)O| HBA: | 16 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 714.72 | Num_heavy_atoms: | 51 |
| TPSA: | 227.82 | NumAromaticRings: | 2 |
