Glycoside
GD136139
Name:
12,18-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-2-yl)-2-oxapentacyclo[9.7.0.0¹,³.0âµ,¹â°.0¹â´,¹â¸]octadecan-13-oneFormula:
C30H42O10Smiles:
COC1CC(OC2CCC3(C)C(C2)CC2OC24C3C(O)C(=O)C2(C)C(C3C=CC(=O)O3)CCC24O)OC(C)C1OAglycone:
CC12CCC(O)CC1CC1OC13C2C(O)C(=O)C1(C)C(C2C=CC(=O)O2)CCC13OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 144.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD46646
Formula: C23H30O7
Smiles:
CC12CCC(O)CC1CC1OC13C2C(O)C(=O)C1(C)C(C2C=CC(=O)O2)CCC13O| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
