Glycoside
...
GD134901

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

Formula:
C57H79O17N

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)OC(=O)c7cccnc7)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 4 FractionCSP3: 0.7
AlogP: 5.75 Num_rotatable_bonds: 15
MolWt: 1050.25 Num_heavy_atoms: 75
TPSA: 229.48 NumAromaticRings: 2

Unique Aglycone
AD05054
Formula: C36H43O8N

Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.53
AlogP: 4.15 Num_rotatable_bonds: 6
MolWt: 617.74 Num_heavy_atoms: 45
TPSA: 146.41 NumAromaticRings: 2

Sugarmoiety
SD00437

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O