Glycoside
GD120986
Name:
4-{14-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadec-5-en-6-yl}-2,5-dihydrofuran-2-oneFormula:
C42H62O17Smiles:
COC1CC(OC2CCC3(C)C(CCC45OC46CC=C(C4=CC(=O)OC4)C6(C)CCC35)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 838.94 | Num_heavy_atoms: | 59 |
| TPSA: | 245.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD07493
Formula: C23H30O4
Smiles:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.49 | Num_heavy_atoms: | 27 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
