Glycoside

GD115037
Name:
16-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-15,18-dihydroxy-10,14,16-trimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.2.2.0¹,¹â´.0²,¹¹.0âµ,¹â°]nonadec-4-en-9-oneFormula:
C34H48O12Smiles:
CC1=C(C)C(=O)OC(C2(C)OC34C(O)CC2(O)C3(C)CCC2C4CC=C3CC(OC4OC(CO)C(O)C(O)C4O)CC(=O)C32C)C1Aglycone:
CC1=C(C)C(=O)OC(C2(C)OC34C(O)CC2(O)C3(C)CCC2C4CC=C3CC(O)CC(=O)C32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 6 | FractionCSP3: | 0.82 |
AlogP: | 0.58 | Num_rotatable_bonds: | 4 |
MolWt: | 648.75 | Num_heavy_atoms: | 46 |
TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45435
Formula: C28H38O7
Smiles:
CC1=C(C)C(=O)OC(C2(C)OC34C(O)CC2(O)C3(C)CCC2C4CC=C3CC(O)CC(=O)C32C)C1HBA: | 7 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.79 |
AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
MolWt: | 486.61 | Num_heavy_atoms: | 35 |
TPSA: | 113.29 | NumAromaticRings: | 0 |