Glycoside
...
GD008081

Name:
None

Formula:
C57H89O19N7

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[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)NCCc2ccccc2)[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)NCCc2ccccc2)C1(C)O.O=C(O)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 26 RingCount: 5
HBD: 6 FractionCSP3: 0.72
AlogP: 4.86 Num_rotatable_bonds: 18
MolWt: 1176.37 Num_heavy_atoms: 83
TPSA: 331.66 NumAromaticRings: 2

Unique Aglycone
AD01233
Formula: C39H67O10N3

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)NCCc2ccccc2)C1(C)O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.79
AlogP: 2.95 Num_rotatable_bonds: 8
MolWt: 737.98 Num_heavy_atoms: 52
TPSA: 170.49 NumAromaticRings: 1
AD03774
Formula: C10H10O7N4

Smiles:
O=C(O)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
HBA: 11 RingCount: 1
HBD: 3 FractionCSP3: 0.2
AlogP: 0.5 Num_rotatable_bonds: 6
MolWt: 298.21 Num_heavy_atoms: 21
TPSA: 164.71 NumAromaticRings: 1

Sugarmoiety
SD00005

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