Glycoside
GD125652
Name:
NoneFormula:
C28H29O12N2Smiles:
COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2Aglycone:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.54 | Num_heavy_atoms: | 42 |
| TPSA: | 222.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD49671
Formula: C22H21O6N2
Smiles:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCCC3=NC(N)=C[CH+]3)cc1)O2| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 409.42 | Num_heavy_atoms: | 30 |
| TPSA: | 126.76 | NumAromaticRings: | 2 |
