Glycoside
GD127677
Name:
Leptolepisol C 4-O-Beta-D-GlucopyranosideFormula:
C33H40O14Smiles:
COc1cc(C(CO)C(O)c2cc(OC)c3c(c2)C(CO)C(c2ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c2)O3)ccc1OAglycone:
COc1cc(C(CO)C(O)c2cc(OC)c3c(c2)C(CO)C(c2ccc(O)c(OC)c2)O3)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 660.67 | Num_heavy_atoms: | 47 |
| TPSA: | 217.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD51701
Formula: C27H30O9
Smiles:
COc1cc(C(CO)C(O)c2cc(OC)c3c(c2)C(CO)C(c2ccc(O)c(OC)c2)O3)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 498.53 | Num_heavy_atoms: | 36 |
| TPSA: | 138.07 | NumAromaticRings: | 3 |
