Glycoside
...
GD122122

Name:
1-(7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-1,3a,3b,5a-tetrahydroxy-9a,11a-dimethyl-11-[(3-phenylprop-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl pyridine-3-carboxylate

Formula:
C57H79O19N

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)OC(=O)c6cccnc6)CCC5(O)C4(O)C=CC3(O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Aglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 6 FractionCSP3: 0.7
AlogP: 3.69 Num_rotatable_bonds: 15
MolWt: 1082.25 Num_heavy_atoms: 77
TPSA: 269.94 NumAromaticRings: 2

Unique Aglycone
AD49194
Formula: C36H43O9N

Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.53
AlogP: 3.12 Num_rotatable_bonds: 6
MolWt: 633.74 Num_heavy_atoms: 46
TPSA: 166.64 NumAromaticRings: 2

Sugarmoiety
SD01107

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1