Glycoside
...
GD143689

Name:
1,3a,3b-trihydroxy-7-[(5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl pyridine-3-carboxylate

Formula:
C61H95O25N

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)c3cccnc3)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 9 FractionCSP3: 0.87
AlogP: 0.82 Num_rotatable_bonds: 18
MolWt: 1242.41 Num_heavy_atoms: 87
TPSA: 350.48 NumAromaticRings: 1

Unique Aglycone
AD57776
Formula: C27H37O7N

Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.7
AlogP: 1.88 Num_rotatable_bonds: 3
MolWt: 487.59 Num_heavy_atoms: 35
TPSA: 140.34 NumAromaticRings: 1

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1