Glycoside
GD118512
Name:
NoneFormula:
C34H33O14N2Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)c(OCc5cccc(O)c5)c4O)O3)cc2)=N1Aglycone:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OCc5cccc(O)c5)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.26 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 693.64 | Num_heavy_atoms: | 50 |
| TPSA: | 263.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD47398
Formula: C28H25O8N2
Smiles:
NC1=C[CH+]C(C(O)COc2ccc(C3C=C(O)c4c(cc(O)c(OCc5cccc(O)c5)c4O)O3)cc2)=N1| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.14 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 517.51 | Num_heavy_atoms: | 38 |
| TPSA: | 167.22 | NumAromaticRings: | 3 |
