Glycoside
...
GD005289

Name:
None

Formula:
C87H117O20N19

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

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

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2OC(O)OC2CO)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 11
HBD: 18 FractionCSP3: 0.44
AlogP: 6.9 Num_rotatable_bonds: 31
MolWt: 1749.01 Num_heavy_atoms: 126
TPSA: 490.46 NumAromaticRings: 7

Unique Aglycone
AD04514
Formula: C16H25O4N3

Smiles:
CN(C)c1ccc(CC(=O)OC2C(N)CC(N)C(O)C2O)cc1
HBA: 7 RingCount: 2
HBD: 6 FractionCSP3: 0.56
AlogP: -1.01 Num_rotatable_bonds: 4
MolWt: 323.39 Num_heavy_atoms: 23
TPSA: 122.04 NumAromaticRings: 1
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

Sugarmoiety
SD00988

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2OC(O)OC2CO)C(N)C(O)C1O