Glycoside
...
GD027334

Name:
None

Formula:
C57H95O13N5

Smiles:
CCN(CCNC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](COCc3ccccc3)CN(C)C[C@@H](C)[C@@H](N)[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)C[C@]1(C)OC)[C@H](C)c1ccccc1OC

Aglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(COCc3ccccc3)CN(C)CC(C)C(N)C(C)CC2(C)O)O1.CCN(CCNC(=O)O)C(C)c1ccccc1OC

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 5 FractionCSP3: 0.75
AlogP: 6.0 Num_rotatable_bonds: 18
MolWt: 1058.41 Num_heavy_atoms: 75
TPSA: 205.44 NumAromaticRings: 2

Unique Aglycone
AD04319
Formula: C35H61O8N3

Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(COCc3ccccc3)CN(C)CC(C)C(N)C(C)CC2(C)O)O1
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.8
AlogP: 2.25 Num_rotatable_bonds: 7
MolWt: 651.89 Num_heavy_atoms: 46
TPSA: 147.18 NumAromaticRings: 1
AD15050
Formula: C14H22O3N2

Smiles:
CCN(CCNC(=O)O)C(C)c1ccccc1OC
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: 2.35 Num_rotatable_bonds: 7
MolWt: 266.34 Num_heavy_atoms: 19
TPSA: 61.8 NumAromaticRings: 1

Sugarmoiety
SD00005

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