Glycoside
GD126602
Name:
2-{3-[3,14-dihydroxy-15-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecan-14-yl]-2,3-dihydroxypropoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H50O11Smiles:
CC1(C)CCCC2(C)C1C(O)CC13CC(CCC21)C(O)(C(O)C(O)COC1OC(CO)C(O)C(O)C1O)C3COAglycone:
CC1(C)CCCC2(C)C1C(O)CC13CC(CCC21)C(O)(C(O)C(O)CO)C3COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.71 | Num_heavy_atoms: | 40 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD51238
Formula: C23H40O6
Smiles:
CC1(C)CCCC2(C)C1C(O)CC13CC(CCC21)C(O)(C(O)C(O)CO)C3CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.57 | Num_heavy_atoms: | 29 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
