Glycoside
...
GD031583

Name:
None

Formula:
C55H95O14N7

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(CN(C)Cc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)[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)(O)C[C@H](C)CN(C)[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)(O)CC(C)CN(C)C(C)C(O)C1(C)O.CN(C)Cc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1(O)O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 7 FractionCSP3: 0.82
AlogP: 3.73 Num_rotatable_bonds: 18
MolWt: 1078.4 Num_heavy_atoms: 76
TPSA: 263.36 NumAromaticRings: 2

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD20336
Formula: C17H25O2N5

Smiles:
CN(C)Cc1ccc(-c2cn(CCCCCC(=O)NO)nn2)cc1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.47
AlogP: 2.07 Num_rotatable_bonds: 9
MolWt: 331.42 Num_heavy_atoms: 24
TPSA: 83.28 NumAromaticRings: 2

Sugarmoiety
SD00237

COC1(C)CC(O)OC(C)C1(O)O