Glycoside
GD126865
Name:
2-(hydroxymethyl)-6-{[14-(hydroxymethyl)-5,5,9-trimethyl-6-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-14-yl]oxy}oxane-3,4,5-triolFormula:
C38H64O18Smiles:
CC1(C)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)CCC2(C)C3CCC4CC3(CCC12)CC4(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 808.91 | Num_heavy_atoms: | 56 |
| TPSA: | 298.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD51353
Formula: C20H34O3
Smiles:
CC1(C)C(O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)CO| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
