Glycoside
GD153758
Name:
3,4,5-trihydroxy-6-({15-methyl-5,14-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹âµ]heptadec-6-en-12-yl}oxy)oxane-2-carboxylic acidFormula:
C22H32O9Smiles:
CC12CCC3C4CCOC=C4CCC3C1C(OC1OC(C(=O)O)C(O)C(O)C1O)CO2Aglycone:
CC12CCC3C4CCOC=C4CCC3C1C(O)CO2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 440.49 | Num_heavy_atoms: | 31 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61122
Formula: C16H24O3
Smiles:
CC12CCC3C4CCOC=C4CCC3C1C(O)CO2| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.37 | Num_heavy_atoms: | 19 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
