Glycoside
GD152445
Name:
NoneFormula:
C42H50O19N2Smiles:
CC(C)CCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C(O)C2OAglycone:
CC(C)CCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.5 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 886.86 | Num_heavy_atoms: | 63 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD60697
Formula: C36H42O13N2
Smiles:
CC(C)CCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 710.73 | Num_heavy_atoms: | 51 |
| TPSA: | 265.63 | NumAromaticRings: | 3 |
