Glycoside
...
GD144469

Name:
2-{[3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-(acetyloxy)-5-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-(hydroxymethyl)oxan-4-yl acetate

Formula:
C44H64O20

Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4C3C=CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(CO)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OC(C)=O

Aglycone:
CC12CCC(O)CC1CCC1C2C=CC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 8 FractionCSP3: 0.84
AlogP: -1.37 Num_rotatable_bonds: 11
MolWt: 912.98 Num_heavy_atoms: 64
TPSA: 296.12 NumAromaticRings: 0

Unique Aglycone
AD56701
Formula: C23H32O4

Smiles:
CC12CCC(O)CC1CCC1C2C=CC2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.78
AlogP: 3.38 Num_rotatable_bonds: 1
MolWt: 372.51 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD09097

CC(=O)OC1C(O)OC(CO)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OC(C)=O