Glycoside
...
GD023001

Name:
None

Formula:
C45H83O12N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[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(CCCCc2cn(CC)nn2)[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(CCCCc2cn(CC)nn2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 2.91 Num_rotatable_bonds: 13
MolWt: 886.18 Num_heavy_atoms: 62
TPSA: 210.79 NumAromaticRings: 1

Unique Aglycone
AD15518
Formula: C37H69O9N5

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CC)nn2)C(C)C(O)C1(C)O
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.92
AlogP: 1.98 Num_rotatable_bonds: 10
MolWt: 727.99 Num_heavy_atoms: 51
TPSA: 183.1 NumAromaticRings: 1

Sugarmoiety
SD00005

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