Glycoside
GD139309
Name:
8-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-22-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-1(21),10-dien-14-oneFormula:
C28H40O10Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(=CCC4C(=O)OC5COC6(C)OC=C(CCC43)C56O)C2)C1OAglycone:
CC12CCC(O)CC1=CCC1C(=O)OC3COC4(C)OC=C(CCC12)C34OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.62 | Num_heavy_atoms: | 38 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD56175
Formula: C21H28O6
Smiles:
CC12CCC(O)CC1=CCC1C(=O)OC3COC4(C)OC=C(CCC12)C34O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
