Glycoside
GD152438
Name:
2-(hydroxymethyl)-6-[2-methoxy-4-(prop-1-en-1-yl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triolFormula:
C22H32O13Smiles:
CC=Cc1cc(OC)c(OC2OC(CO)C(O)C(O)C2O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC=Cc1cc(OC)c(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD60695
Formula: C10H12O3
Smiles:
CC=Cc1cc(OC)c(O)cc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
