Glycoside
GD128293
Name:
2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,16-trimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H66O14Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC32C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC32C)O1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 770.95 | Num_heavy_atoms: | 54 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50275
Formula: C29H48O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC32C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
