Glycoside
...
GD021283

Name:
None

Formula:
C38H55O11N4SBr

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC(=O)NCC=Cc2ccc(Br)nc2)C[C@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2ccc(Br)nc2)CC(C)C(=O)C(C)C2NC(=S)OC12C

Sugarmoiety:
CN(C)C1CC(O)OC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.68
AlogP: 3.52 Num_rotatable_bonds: 8
MolWt: 855.85 Num_heavy_atoms: 55
TPSA: 195.08 NumAromaticRings: 1

Unique Aglycone
AD14577
Formula: C31H42O8N3SBr

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2ccc(Br)nc2)CC(C)C(=O)C(C)C2NC(=S)OC12C
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.61
AlogP: 4.14 Num_rotatable_bonds: 5
MolWt: 696.66 Num_heavy_atoms: 44
TPSA: 153.15 NumAromaticRings: 1

Sugarmoiety
SD00344

CN(C)C1CC(O)OC(O)C1O