Glycoside
GD151666
Name:
NoneFormula:
C28H29O13N2Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)c(OCO)c4O)O3)cc2)=N1Aglycone:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OCO)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 601.54 | Num_heavy_atoms: | 43 |
| TPSA: | 243.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD60459
Formula: C22H21O7N2
Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OCO)c4O)O3)cc2)=N1| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.18 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.42 | Num_heavy_atoms: | 31 |
| TPSA: | 146.99 | NumAromaticRings: | 2 |
