Glycoside
GD145419
Name:
2-{[14-hydroxy-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-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O13Smiles:
CC1(C)C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)C3CCC4CC3(CCC12)CC4(O)COC1OC(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(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 646.77 | Num_heavy_atoms: | 45 |
| TPSA: | 218.99 | 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 |
