Glycoside
GD140622
Name:
2-{[9,14-dihydroxy-7,7,12,16-tetramethyl-15-(2,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}oxane-3,4,5-triolFormula:
C35H60O10Smiles:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.85 | Num_heavy_atoms: | 45 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD51448
Formula: C30H52O6
Smiles:
CC(C)(O)C(O)CCC(C)(O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
