Glycoside
GD151816
Name:
6-{6-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-13,17-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-2-methylhept-2-enoic acidFormula:
C41H66O14Smiles:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CC(O)C12C)C(=O)OAglycone:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD53730
Formula: C30H48O5
Smiles:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C)C(=O)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
