Glycoside
GD142348
Name:
NoneFormula:
C40H45O20N3Smiles:
CNC1=CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4cc(O)c(O)c(CCO)c4)cc(=O)c3c2O)OC12OC(C(=O)OC1OC(CCO)(C(=O)O)C(O)C(O)C1O)C(O)C(O)C2OAglycone:
CNC1=CC(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)C1(CCO)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.42 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 887.8 | Num_heavy_atoms: | 63 |
| TPSA: | 394.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD53360
Formula: C32H33O13N3
Smiles:
CNC1=CC(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: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.31 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 667.62 | Num_heavy_atoms: | 48 |
| TPSA: | 277.66 | NumAromaticRings: | 3 |
