Glycoside
GD139016
Name:
2-{[17-hydroxy-16-(hydroxymethyl)-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-14-(prop-1-en-2-yloxy)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}oxane-3,4,5-triolFormula:
C38H62O10Smiles:
C=C(C)OC1CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CC(O)C2(CO)C1C1(C)CCC(C(C)(C)O)O1Aglycone:
C=C(C)OC1CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C2(CO)C1C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.9 | Num_heavy_atoms: | 48 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD56072
Formula: C33H54O6
Smiles:
C=C(C)OC1CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C2(CO)C1C1(C)CCC(C(C)(C)O)O1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.79 | Num_heavy_atoms: | 39 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
