Glycoside
...
GD146541

Name:
1-[11-(acetyloxy)-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-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:
C52H79O17N

Smiles:
CNc1ccccc1C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)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(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.81
AlogP: 4.71 Num_rotatable_bonds: 14
MolWt: 990.19 Num_heavy_atoms: 70
TPSA: 228.62 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
SD00437

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