Glycoside

GD132596
Name:
Astraverrucin VFormula:
C44H72O15Smiles:
CC(=O)OC1C(O)C(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)OC(CO)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 8 |
HBD: | 8 | FractionCSP3: | 0.98 |
AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
MolWt: | 841.05 | Num_heavy_atoms: | 59 |
TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD04921
Formula: C30H50O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1HBA: | 5 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | 4.44 | Num_rotatable_bonds: | 2 |
MolWt: | 490.73 | Num_heavy_atoms: | 35 |
TPSA: | 90.15 | NumAromaticRings: | 0 |