Glycoside
...
GD132966

Name:
1-[1,3a,3b-trihydroxy-7-({5-[(5-{[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}-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:
C71H103O23N

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(=O)C=Cc7ccccc7)C7(C)C(O)(C(C)OC(=O)c9cccnc9)CCC87O)C6)CC5OC)CC4OC)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(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 11
HBD: 4 FractionCSP3: 0.76
AlogP: 6.82 Num_rotatable_bonds: 21
MolWt: 1338.59 Num_heavy_atoms: 95
TPSA: 284.86 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
SD04569

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)CC3OC)CC2OC)OC(C)C1O