Glycoside
GD133994
Name:
NoneFormula:
C40H46O18N2Smiles:
CC(C)CCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4ccc(O)c(O)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(-c4ccc(O)c(O)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: | 20 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.47 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 842.8 | Num_heavy_atoms: | 60 |
| TPSA: | 341.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD54209
Formula: C34H38O12N2
Smiles:
CC(C)CCC1CC(C2=CNC(N)C=C2)c2c(cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC12OC(C(=O)O)C(O)C(O)C2O| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 666.68 | Num_heavy_atoms: | 48 |
| TPSA: | 245.4 | NumAromaticRings: | 3 |
