Glycoside
GD136652
Name:
2-(hydroxymethyl)-6-{[6-(19-methoxy-5,9,17,17-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxapentacyclo[10.5.2.0¹,¹³.0â´,¹².0âµ,â¹]nonadec-2-en-8-yl)-2-methylhept-3-en-2-yl]oxy}oxane-3,4,5-triolFormula:
C43H70O14Smiles:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)OC5OC(CO)C(O)C(O)C5O)CCC41C)C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)CAglycone:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 811.02 | Num_heavy_atoms: | 57 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD15823
Formula: C31H50O4
Smiles:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)O)CCC41C)C2CCC(O)C3(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
