Glycoside
...
GD027579

Name:
None

Formula:
C56H86O15N5Br

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NNC(=O)C=Cc3ccc(Br)cc3)[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(C)[C@H](C)[C@H](OC(=O)NCc2ccccc2)[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(C)C(C)C(OC(=O)NCc2ccccc2)C1(C)O.O=C(O)NNC(=O)C=Cc1ccc(Br)cc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 6 FractionCSP3: 0.68
AlogP: 6.08 Num_rotatable_bonds: 13
MolWt: 1149.23 Num_heavy_atoms: 77
TPSA: 245.38 NumAromaticRings: 2

Unique Aglycone
AD01240
Formula: C38H65O10N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccccc2)C1(C)O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.79
AlogP: 2.91 Num_rotatable_bonds: 7
MolWt: 723.95 Num_heavy_atoms: 51
TPSA: 170.49 NumAromaticRings: 1
AD14070
Formula: C10H9O3N2Br

Smiles:
O=C(O)NNC(=O)C=Cc1ccc(Br)cc1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.76 Num_rotatable_bonds: 2
MolWt: 285.1 Num_heavy_atoms: 16
TPSA: 78.43 NumAromaticRings: 1

Sugarmoiety
SD00005

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