Glycoside
...
GD016452

Name:
None

Formula:
C84H91O25N10Cl3

Smiles:
CC=CCN(CC=CC)[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)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)(Nc3ccc(Cl)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(Nc2ccc(Cl)cc2)C1O.CC=CCN(CC=CC)C(CC(C)C)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

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

Other Identifiers

Properties
HBA: 35 RingCount: 13
HBD: 20 FractionCSP3: 0.4
AlogP: 4.26 Num_rotatable_bonds: 21
MolWt: 1711.02 Num_heavy_atoms: 119
TPSA: 536.81 NumAromaticRings: 6

Unique Aglycone
AD00546
Formula: C14H18O3NCl

Smiles:
CC1OC(O)CC(C)(Nc2ccc(Cl)cc2)C1O
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.54
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 271.74 Num_heavy_atoms: 18
TPSA: 61.72 NumAromaticRings: 1
AD11841
Formula: C64H65O18N9Cl2

Smiles:
CC=CCN(CC=CC)C(CC(C)C)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
HBA: 27 RingCount: 10
HBD: 16 FractionCSP3: 0.31
AlogP: 3.75 Num_rotatable_bonds: 14
MolWt: 1295.15 Num_heavy_atoms: 91
TPSA: 427.17 NumAromaticRings: 5

Sugarmoiety
SD00003

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