Glycoside
...
GD011756

Name:
None

Formula:
C59H90O18N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCCCCOCC#Cc3ccc4c(c3)c(=O)c(C(=O)O)cn4CC)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.CCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCCCCC(=O)O)ccc21

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 4 FractionCSP3: 0.75
AlogP: 5.65 Num_rotatable_bonds: 18
MolWt: 1115.37 Num_heavy_atoms: 79
TPSA: 257.51 NumAromaticRings: 2

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD08946
Formula: C21H23O6N

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCCCCC(=O)O)ccc21
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 2.73 Num_rotatable_bonds: 9
MolWt: 385.42 Num_heavy_atoms: 28
TPSA: 105.83 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O