Glycoside
...
GD010577

Name:
None

Formula:
C90H104O30N12Cl2

Smiles:
CN[C@H](CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]2C(=O)N[C@@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)c(CNCCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@@](C)(NCc3ccc(-c4ccncc4)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(NCc2ccc(-c3ccncc3)cc2)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

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

Other Identifiers

Properties
HBA: 42 RingCount: 14
HBD: 27 FractionCSP3: 0.43
AlogP: -0.97 Num_rotatable_bonds: 28
MolWt: 1880.76 Num_heavy_atoms: 132
TPSA: 671.67 NumAromaticRings: 7

Unique Aglycone
AD04631
Formula: C19H24O3N2

Smiles:
CC1OC(O)CC(C)(NCc2ccc(-c3ccncc3)cc2)C1O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.42
AlogP: 2.08 Num_rotatable_bonds: 4
MolWt: 328.41 Num_heavy_atoms: 24
TPSA: 74.61 NumAromaticRings: 2
AD05871
Formula: C59H61O17N10Cl2

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 27 RingCount: 10
HBD: 18 FractionCSP3: 0.33
AlogP: 2.16 Num_rotatable_bonds: 13
MolWt: 1229.07 Num_heavy_atoms: 86
TPSA: 442.69 NumAromaticRings: 5

Sugarmoiety
SD01209

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