Glycoside
...
GD152921

Name:
9a,11a-dimethyl-1-[1-(5-methylpiperidin-2-yl)ethyl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3,5-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

Formula:
C42H63O8N

Smiles:
Cc1cc(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C5CCC(C)CN5)CCC43)C2)cc(C)c1OC1OC(CO)C(O)C(O)C1O

Aglycone:
Cc1cc(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C5CCC(C)CN5)CCC43)C2)cc(C)c1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 7
HBD: 5 FractionCSP3: 0.79
AlogP: 5.61 Num_rotatable_bonds: 7
MolWt: 709.97 Num_heavy_atoms: 51
TPSA: 137.71 NumAromaticRings: 1

Unique Aglycone
AD60845
Formula: C36H53O3N

Smiles:
Cc1cc(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C5CCC(C)CN5)CCC43)C2)cc(C)c1O
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.75
AlogP: 8.14 Num_rotatable_bonds: 4
MolWt: 547.82 Num_heavy_atoms: 40
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O