Glycoside
GD156881
Name:
1,3a,3b-trihydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl benzoateFormula:
C49H76O16Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(CCC6(O)C5CC(OC(=O)c5ccccc5)C5(C)C(O)(C(C)O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 921.13 | Num_heavy_atoms: | 65 |
| TPSA: | 210.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD47109
Formula: C28H40O7
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 488.62 | Num_heavy_atoms: | 35 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
