Glycoside
...
GD002327

Name:
None

Formula:
C51H79O13N3

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)CN2C(=Nc3ccc(-c4ccccc4)cc3OC)O[C@H]([C@H]2C)[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)CN2C(=Nc3ccc(-c4ccccc4)cc3OC)OC(C2C)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 4 FractionCSP3: 0.73
AlogP: 5.67 Num_rotatable_bonds: 10
MolWt: 942.2 Num_heavy_atoms: 67
TPSA: 190.67 NumAromaticRings: 2

Unique Aglycone
AD02231
Formula: C43H65O10N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN2C(=Nc3ccc(-c4ccccc4)cc3OC)OC(C2C)C1(C)O
HBA: 13 RingCount: 5
HBD: 4 FractionCSP3: 0.67
AlogP: 4.75 Num_rotatable_bonds: 7
MolWt: 784.0 Num_heavy_atoms: 56
TPSA: 162.98 NumAromaticRings: 2

Sugarmoiety
SD00005

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