Glycoside
GD132985
Name:
11-{[4-hydroxy-5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-1,8-dimethyl-2,18,22-trioxapentacyclo[17.2.1.0â´,²¹.0â·,¹â¶.0â¸,¹³]docosa-4,13-diene-3,17-dioneFormula:
C40H58O15Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(=CCC6C(=O)OC7CC8C(=CCC65)C(=O)OC8(C)O7)C4)OC3C)OC2C)OC(C)C1OAglycone:
CC12OC(=O)C3=CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CC31)O2Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.89 | Num_heavy_atoms: | 55 |
| TPSA: | 187.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD53835
Formula: C21H26O6
Smiles:
CC12OC(=O)C3=CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CC31)O2| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
