Glycoside
GD128623
Name:
6-{[7-carboxy-15-(3,7-dihydroxy-6-methylhept-5-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C42H66O16Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)COAglycone:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C)COSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 826.97 | Num_heavy_atoms: | 58 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD52103
Formula: C30H48O5
Smiles:
CC(=CCC(O)C(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C)CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
