Glycoside
...
GD023601

Name:
None

Formula:
C100H98O29N10Cl2

Smiles:
CC(C)C[C@H](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)NCC(=O)O)c4cc(O)cc(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)(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

Aglycone:
CC(C)CC(C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC1OC(O)CC(C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C1O

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

Other Identifiers

Properties
HBA: 39 RingCount: 18
HBD: 20 FractionCSP3: 0.34
AlogP: 6.46 Num_rotatable_bonds: 20
MolWt: 1950.81 Num_heavy_atoms: 139
TPSA: 589.41 NumAromaticRings: 9

Unique Aglycone
AD14405
Formula: C22H25O5N

Smiles:
CC1OC(O)CC(C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C1O
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.41
AlogP: 2.77 Num_rotatable_bonds: 3
MolWt: 383.44 Num_heavy_atoms: 28
TPSA: 88.02 NumAromaticRings: 2
AD15748
Formula: C72H65O20N9Cl2

Smiles:
CC(C)CC(C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
HBA: 29 RingCount: 13
HBD: 16 FractionCSP3: 0.26
AlogP: 5.17 Num_rotatable_bonds: 12
MolWt: 1423.24 Num_heavy_atoms: 101
TPSA: 453.47 NumAromaticRings: 7

Sugarmoiety
SD00003

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