Glycoside
...
GD007079

Name:
None

Formula:
C56H94O15N6

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

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 6 FractionCSP3: 0.8
AlogP: 4.66 Num_rotatable_bonds: 20
MolWt: 1091.39 Num_heavy_atoms: 77
TPSA: 266.19 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
AD05789
Formula: C18H27O2N5

Smiles:
CN(C)Cc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 2.46 Num_rotatable_bonds: 10
MolWt: 345.45 Num_heavy_atoms: 25
TPSA: 83.28 NumAromaticRings: 2

Sugarmoiety
SD00237

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