Glycoside
...
GD028703

Name:
None

Formula:
C82H94O26N10Cl2

Smiles:
CCCN(CCC)[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(OC)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CCCN(CCC)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.COc1ccc(NC2(C)CC(O)OC(C)C2O)cc1

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

Other Identifiers

Properties
HBA: 36 RingCount: 13
HBD: 20 FractionCSP3: 0.44
AlogP: 3.29 Num_rotatable_bonds: 22
MolWt: 1682.58 Num_heavy_atoms: 118
TPSA: 546.04 NumAromaticRings: 6

Unique Aglycone
AD00547
Formula: C62H65O18N9Cl2

Smiles:
CCCN(CCC)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: 0.35
AlogP: 3.41 Num_rotatable_bonds: 14
MolWt: 1271.13 Num_heavy_atoms: 89
TPSA: 427.17 NumAromaticRings: 5
AD03262
Formula: C14H21O4N

Smiles:
COc1ccc(NC2(C)CC(O)OC(C)C2O)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.57
AlogP: 1.35 Num_rotatable_bonds: 3
MolWt: 267.32 Num_heavy_atoms: 19
TPSA: 70.95 NumAromaticRings: 1

Sugarmoiety
SD00003

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