Glycoside
GD138901
Name:
2-{[9,14-dihydroxy-7,7,12,16-tetramethyl-15-(6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C44H72O15Smiles:
CC(=O)OC1C(OC2CCC34CC35CCC3(C)C(C(C)CCC=C(C)COC6OC(CO)C(O)C(O)C6O)C(O)CC3(C)C5CC(O)C4C2(C)C)OC(CO)C(O)C1OAglycone:
CC(=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C)COSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 841.05 | Num_heavy_atoms: | 59 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD50452
Formula: C30H50O4
Smiles:
CC(=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C)CO| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
