Glycoside
GD136954
Name:
GulsamaninFormula:
C25H22O13Smiles:
COc1cc2cc(O)c(O)c(-c3c(OC4OC(CO)C(O)C(O)C4O)ccc4ccc(=O)oc34)c2oc1=OAglycone:
COc1cc2cc(O)c(O)c(-c3c(O)ccc4ccc(=O)oc34)c2oc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.44 | Num_heavy_atoms: | 38 |
| TPSA: | 209.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD55348
Formula: C19H12O8
Smiles:
COc1cc2cc(O)c(O)c(-c3c(O)ccc4ccc(=O)oc34)c2oc1=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 368.3 | Num_heavy_atoms: | 27 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
