Glycoside
GD144090
Name:
2-{[4,5-dihydroxy-6-({14-hydroxy-15-[1-(4-hydroxy-5,5-dimethyloxolan-2-yl)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C42H70O13Smiles:
CC1OC(OC2C(CO)OC(OC3CCC45CC46CCC4(C)C(C(C)C7CC(O)C(C)(C)O7)C(O)CC4(C)C6CCC5C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55232
Formula: C30H50O4
Smiles:
CC(C1CC(O)C(C)(C)O1)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
