Glycoside
GD153845
Name:
NoneFormula:
C28H29O13N2Smiles:
COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2Aglycone:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 601.54 | Num_heavy_atoms: | 43 |
| TPSA: | 243.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD50882
Formula: C22H21O7N2
Smiles:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.18 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.42 | Num_heavy_atoms: | 31 |
| TPSA: | 146.99 | NumAromaticRings: | 2 |
