Glycoside
...
GD018682

Name:
None

Formula:
C57H89O14N7

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cn(Cc4ccccc4)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)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)NCc1cn(Cc2ccccc2)nn1

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 5 FractionCSP3: 0.7
AlogP: 5.41 Num_rotatable_bonds: 15
MolWt: 1096.37 Num_heavy_atoms: 78
TPSA: 246.99 NumAromaticRings: 3

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
AD03346
Formula: C11H12O2N4

Smiles:
O=C(O)NCc1cn(Cc2ccccc2)nn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.09 Num_rotatable_bonds: 4
MolWt: 232.24 Num_heavy_atoms: 17
TPSA: 80.04 NumAromaticRings: 2

Sugarmoiety
SD00005

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