Glycoside
...
GD007671

Name:
None

Formula:
C81H106O18N18

Smiles:
CN(C)c1ccc(NC(=O)OC[C@@H]2O[C@H](O[C@H]3[C@H](OC(=O)Nc4ccc(N(C)C)cc4)[C@@H](O[C@@H]4O[C@H](CN)[C@H](OC(=O)Nc5ccc(N(C)C)cc5)[C@H](OC(=O)Nc5ccc(N(C)C)cc5)[C@H]4OC(=O)Nc4ccc(N(C)C)cc4)[C@@H](N)C[C@H]3N)[C@H](OC(=O)Nc3ccc(N(C)C)cc3)[C@H](N)[C@H]2OC(=O)Nc2ccc(N(C)C)cc2)cc1

Aglycone:
CN(C)c1ccc(NC(=O)O)cc1.CN(C)c1ccc(NC(=O)O)cc1.CN(C)c1ccc(NC(=O)O)cc1.CN(C)c1ccc(NC(=O)O)cc1.CN(C)c1ccc(NC(=O)O)cc1.CN(C)c1ccc(NC(=O)OC2C(O)C(N)CC(N)C2O)cc1.COC(=O)Nc1ccc(N(C)C)cc1

Sugarmoiety:
NC1OC(CO)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 10
HBD: 15 FractionCSP3: 0.4
AlogP: 8.97 Num_rotatable_bonds: 27
MolWt: 1619.85 Num_heavy_atoms: 117
TPSA: 431.99 NumAromaticRings: 7

Unique Aglycone
AD04515
Formula: C9H12O2N2

Smiles:
CN(C)c1ccc(NC(=O)O)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.84 Num_rotatable_bonds: 2
MolWt: 180.21 Num_heavy_atoms: 13
TPSA: 52.57 NumAromaticRings: 1
AD04516
Formula: C10H14O2N2

Smiles:
COC(=O)Nc1ccc(N(C)C)cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.93 Num_rotatable_bonds: 2
MolWt: 194.23 Num_heavy_atoms: 14
TPSA: 41.57 NumAromaticRings: 1
AD06220
Formula: C15H24O4N4

Smiles:
CN(C)c1ccc(NC(=O)OC2C(O)C(N)CC(N)C2O)cc1
HBA: 8 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: -0.55 Num_rotatable_bonds: 3
MolWt: 324.38 Num_heavy_atoms: 23
TPSA: 134.07 NumAromaticRings: 1

Sugarmoiety
SD01279

NC1OC(CO)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O