Glycoside
...
GD006652

Name:
None

Formula:
C32H36O13N3Br

Smiles:
COC(=O)[C@@]1(C)Nc2c(O[C@@H]3OC(CO)[C@H](O)C(O)[C@H]3O)cc3c(c2C1=O)C[C@H](Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

Aglycone:
COC(=O)C1(C)Nc2c(O)cc3c(c2C1=O)CC(Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 6 FractionCSP3: 0.47
AlogP: 0.88 Num_rotatable_bonds: 8
MolWt: 750.55 Num_heavy_atoms: 49
TPSA: 218.57 NumAromaticRings: 3

Unique Aglycone
AD05483
Formula: C26H26O8N3Br

Smiles:
COC(=O)C1(C)Nc2c(O)cc3c(c2C1=O)CC(Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
HBA: 11 RingCount: 5
HBD: 3 FractionCSP3: 0.35
AlogP: 3.41 Num_rotatable_bonds: 5
MolWt: 588.41 Num_heavy_atoms: 38
TPSA: 139.42 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O