Glycoside
...
GD129631

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

Formula:
C59H91O21N

Smiles:
CNc1ccccc1C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(O)C(OC)C8O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12C

Aglycone:
CNc1ccccc1C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

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

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 6 FractionCSP3: 0.83
AlogP: 4.21 Num_rotatable_bonds: 17
MolWt: 1150.36 Num_heavy_atoms: 81
TPSA: 276.54 NumAromaticRings: 1

Unique Aglycone
AD49495
Formula: C31H43O8N

Smiles:
CNc1ccccc1C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(C)=O)C12C
HBA: 9 RingCount: 5
HBD: 5 FractionCSP3: 0.68
AlogP: 3.1 Num_rotatable_bonds: 5
MolWt: 557.68 Num_heavy_atoms: 40
TPSA: 145.55 NumAromaticRings: 1

Sugarmoiety
SD00850

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