Glycoside
GD125290
Name:
2-{[6,14-dihydroxy-8,16-bis(4-hydroxyphenyl)-1,9-dimethyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[7.7.0.0²,â·.0¹â°,¹âµ]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H46O16Smiles:
CC12c3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C(c3ccc(O)cc3)C1(C)c1cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c1C2c1ccc(O)cc1Aglycone:
CC12c3cc(O)cc(O)c3C(c3ccc(O)cc3)C1(C)c1cc(O)cc(O)c1C2c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.43 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 806.81 | Num_heavy_atoms: | 58 |
| TPSA: | 279.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD50670
Formula: C30H26O6
Smiles:
CC12c3cc(O)cc(O)c3C(c3ccc(O)cc3)C1(C)c1cc(O)cc(O)c1C2c1ccc(O)cc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 482.53 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 4 |
