Glycoside
...
GD002969

Name:
None

Formula:
C64H101O16N5

Smiles:
CCOC(=O)c1cn(C2CC2)c2ccc(C#CCN3CCN(CCC(=O)O[C@@H]4[C@H](C)O[C@H](O[C@H]5[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](OC)[C@@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]6O[C@H](C)C[C@H](N(C)C)[C@H]6O)[C@H]5C)C[C@]4(C)OC)CC3)cc2c1=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(OC)C1(C)O.CCOC(=O)c1cn(C2CC2)c2ccc(C#CCN3CCN(CCC(=O)O)CC3)cc2c1=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 3 FractionCSP3: 0.78
AlogP: 4.99 Num_rotatable_bonds: 16
MolWt: 1196.53 Num_heavy_atoms: 85
TPSA: 229.93 NumAromaticRings: 2

Unique Aglycone
AD00059
Formula: C31H60O9N2

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(OC)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.97
AlogP: 1.63 Num_rotatable_bonds: 5
MolWt: 604.83 Num_heavy_atoms: 42
TPSA: 141.39 NumAromaticRings: 0
AD02759
Formula: C25H29O5N3

Smiles:
CCOC(=O)c1cn(C2CC2)c2ccc(C#CCN3CCN(CCC(=O)O)CC3)cc2c1=O
HBA: 8 RingCount: 4
HBD: 1 FractionCSP3: 0.48
AlogP: 1.96 Num_rotatable_bonds: 7
MolWt: 451.52 Num_heavy_atoms: 33
TPSA: 92.08 NumAromaticRings: 2

Sugarmoiety
SD00005

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