Glycoside
GD123087
Name:
2-({14-hydroxy-15-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl}oxy)oxane-3,4,5-triolFormula:
C40H66O13Smiles:
CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(OC5OCC(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)C1Aglycone:
CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 754.95 | Num_heavy_atoms: | 53 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD47958
Formula: C30H50O5
Smiles:
CC(C)(O)C1COC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
