Glycoside
GD114308
Name:
7,14-dihydroxy-5,5,9-trimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-6-oneFormula:
C26H42O9Smiles:
CC1(C)C(=O)C(O)CC2(C)C3CCC4CC3(CCC12)CC4(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)C(=O)C(O)CC2(C)C3CCC4CC3(CCC12)CC4(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.61 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD44977
Formula: C20H32O4
Smiles:
CC1(C)C(=O)C(O)CC2(C)C3CCC4CC3(CCC12)CC4(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
