Glycoside
GD145986
Name:
2-({17-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-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:
C38H62O9Smiles:
C=C(C)OC1CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CC(O)C2(C)C1C1(C)CCC(C(C)(C)O)O1Aglycone:
C=C(C)OC1CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C2(C)C1C1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD58567
Formula: C33H54O5
Smiles:
C=C(C)OC1CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C2(C)C1C1(C)CCC(C(C)(C)O)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.79 | Num_heavy_atoms: | 38 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
