Glycoside
...
GD022483

Name:
None

Formula:
C59H93O15N7

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cn(Cc4ccc(C)cc4)nn3)[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)NCc2ccc(OC)cc2)[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)NCc2ccc(OC)cc2)C1(C)O.Cc1ccc(Cn2cc(CNC(=O)O)nn2)cc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 5 FractionCSP3: 0.71
AlogP: 5.73 Num_rotatable_bonds: 16
MolWt: 1140.43 Num_heavy_atoms: 81
TPSA: 256.22 NumAromaticRings: 3

Unique Aglycone
AD01291
Formula: C39H67O11N3

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)NCc2ccc(OC)cc2)C1(C)O
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.79
AlogP: 2.92 Num_rotatable_bonds: 8
MolWt: 753.98 Num_heavy_atoms: 53
TPSA: 179.72 NumAromaticRings: 1
AD05099
Formula: C12H14O2N4

Smiles:
Cc1ccc(Cn2cc(CNC(=O)O)nn2)cc1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 1.4 Num_rotatable_bonds: 4
MolWt: 246.27 Num_heavy_atoms: 18
TPSA: 80.04 NumAromaticRings: 2

Sugarmoiety
SD00005

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