Glycoside

GD141602
Name:
4-(hydroxymethyl)-4,8,11b-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,4H,4aH,5H,6H,9H,10aH,11H,11aH,11bH-phenanthro[3,2-b]furan-9-oneFormula:
C26H38O9Smiles:
CC1=C2C=C3CCC4C(C)(CO)C(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CC2OC1=OAglycone:
CC1=C2C=C3CCC4C(C)(CO)C(O)CCC4(C)C3CC2OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.81 |
AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
MolWt: | 494.58 | Num_heavy_atoms: | 35 |
TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD57033
Formula: C20H28O4
Smiles:
CC1=C2C=C3CCC4C(C)(CO)C(O)CCC4(C)C3CC2OC1=OHBA: | 4 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.75 |
AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
MolWt: | 332.44 | Num_heavy_atoms: | 24 |
TPSA: | 66.76 | NumAromaticRings: | 0 |