Glycoside
...
GD035760

Name:
None

Formula:
C54H90O13N6

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(CCn3ccc4cc(OC)ccc43)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(CCn3ccc4cc(OC)ccc43)nn2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 6
HBD: 5 FractionCSP3: 0.8
AlogP: 4.55 Num_rotatable_bonds: 16
MolWt: 1031.34 Num_heavy_atoms: 73
TPSA: 224.95 NumAromaticRings: 3

Unique Aglycone
AD22609
Formula: C46H76O10N6

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCn3ccc4cc(OC)ccc43)nn2)C(C)C(O)C1(C)O
HBA: 16 RingCount: 5
HBD: 5 FractionCSP3: 0.76
AlogP: 3.62 Num_rotatable_bonds: 13
MolWt: 873.15 Num_heavy_atoms: 62
TPSA: 197.26 NumAromaticRings: 3

Sugarmoiety
SD00005

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