Glycoside
GD114749
Name:
2-({14-hydroxy-15-[1-(4-hydroxy-5,5-dimethyloxolan-2-yl)ethyl]-7,12,16-trimethyl-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O15Smiles:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 815.01 | Num_heavy_atoms: | 57 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45256
Formula: C30H50O5
Smiles:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
