Glycoside
...
GD154807

Name:
1,3a,3b-trihydroxy-7-[(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]-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:
C55H85O19N

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)c6cccnc6)C6(C)C(O)(C(C)O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O

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

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 5 FractionCSP3: 0.85
AlogP: 4.02 Num_rotatable_bonds: 15
MolWt: 1064.27 Num_heavy_atoms: 75
TPSA: 251.1 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
SD00196

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