Glycoside
...
GD010556

Name:
None

Formula:
C58H90O17N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCCCOCC#Cc3ccc4c(c3)CC(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.CCN1C=C(C(=O)O)Cc2cc(C#CCOCCCCC(=O)O)ccc21

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 4 FractionCSP3: 0.76
AlogP: 5.58 Num_rotatable_bonds: 17
MolWt: 1087.36 Num_heavy_atoms: 77
TPSA: 238.75 NumAromaticRings: 1

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
AD08136
Formula: C20H23O5N

Smiles:
CCN1C=C(C(=O)O)Cc2cc(C#CCOCCCCC(=O)O)ccc21
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 2.66 Num_rotatable_bonds: 8
MolWt: 357.41 Num_heavy_atoms: 26
TPSA: 87.07 NumAromaticRings: 1

Sugarmoiety
SD00005

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