Glycoside
...
GD016219

Name:
None

Formula:
C72H81O31N10P2Cl3

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)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3cc(Cl)c(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)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(N)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)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3cc(Cl)c(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 12
HBD: 25 FractionCSP3: 0.43
AlogP: -1.03 Num_rotatable_bonds: 18
MolWt: 1714.75 Num_heavy_atoms: 115
TPSA: 663.65 NumAromaticRings: 5

Unique Aglycone
AD00183
Formula: C7H15O3N

Smiles:
CC1OC(O)CC(C)(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.81 Num_rotatable_bonds: 0
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 75.71 NumAromaticRings: 0
AD11707
Formula: C59H58O24N9P2Cl3

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)OCC(=O)NC(P(=O)(O)O)P(=O)(O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3cc(Cl)c(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 33 RingCount: 10
HBD: 20 FractionCSP3: 0.3
AlogP: 1.26 Num_rotatable_bonds: 13
MolWt: 1409.43 Num_heavy_atoms: 94
TPSA: 540.02 NumAromaticRings: 5

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O