Glycoside
GD121107
Name:
2-[4-(2-{2,6-dimethoxy-4-[4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-octahydropentalen-1-yl]phenoxy}-1,3-dihydroxypropyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H60O19Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3CCC4C(c5ccc(OC6OC(CO)C(O)C(O)C6O)c(OC)c5)CCC34)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3CCC4C(c5ccc(O)c(OC)c5)CCC34)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 17 |
| MolWt: | 904.96 | Num_heavy_atoms: | 64 |
| TPSA: | 285.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD48717
Formula: C33H40O9
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3CCC4C(c5ccc(O)c(OC)c5)CCC34)cc2OC)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.67 | Num_heavy_atoms: | 42 |
| TPSA: | 127.07 | NumAromaticRings: | 3 |
