Glycoside
...
GD010454

Name:
None

Formula:
C91H100O33N10Cl2

Smiles:
CNC(=O)[C@@H]1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc4c5)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)cc21

Aglycone:
CC(C)CCCCCCC(N)=O.CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc4c5)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 43 RingCount: 16
HBD: 26 FractionCSP3: 0.43
AlogP: 0.17 Num_rotatable_bonds: 19
MolWt: 1908.72 Num_heavy_atoms: 134
TPSA: 674.44 NumAromaticRings: 7

Unique Aglycone
AD00631
Formula: C10H21ON

Smiles:
CC(C)CCCCCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.9
AlogP: 2.47 Num_rotatable_bonds: 7
MolWt: 171.28 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 0
AD08068
Formula: C61H48O18N8Cl2

Smiles:
CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc4c5)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 26 RingCount: 13
HBD: 17 FractionCSP3: 0.17
AlogP: 4.14 Num_rotatable_bonds: 1
MolWt: 1227.98 Num_heavy_atoms: 87
TPSA: 419.25 NumAromaticRings: 7

Sugarmoiety
SD00201

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O