Glycoside
GD125806
Name:
2-[(2-hydroxy-6-{14-hydroxy-7,7,12,16-tetramethyl-6,9-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-2-methylheptan-3-yl)oxy]oxane-3,4,5-triolFormula:
C45H76O17Smiles:
CC(CCC(OC1OCC(O)C(O)C1O)C(C)(C)O)C1C(O)CC2(C)C3CC(OC4OCC(O)C(O)C4O)C4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 889.09 | Num_heavy_atoms: | 62 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD11918
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
