Glycoside
...
GD000932

Name:
None

Formula:
C82H95O25N9Cl2

Smiles:
CCCCCCCOc1ccc(CN[C@@]2(C)C[C@H](O[C@@H]3c4ccc(c(Cl)c4)Oc4cc5cc(c4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)Oc4ccc(cc4Cl)[C@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]5C(=O)NC4C(=O)NC3C(=O)N[C@H](C(=O)O)c3cc(O)cc(O)c3-c3cc4ccc3O)O[C@H](C)[C@H]2O)cc1

Aglycone:
CCCCCCCOc1ccc(CNC2(C)CC(OC3c4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC4C(=O)NC3C(=O)NC(C(=O)O)c3cc(O)cc(O)c3-c3cc4ccc3O)OC(C)C2O)cc1

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

Other Identifiers

Properties
HBA: 34 RingCount: 13
HBD: 20 FractionCSP3: 0.45
AlogP: 4.29 Num_rotatable_bonds: 23
MolWt: 1653.58 Num_heavy_atoms: 116
TPSA: 525.73 NumAromaticRings: 6

Unique Aglycone
AD00975
Formula: C76H85O20N9Cl2

Smiles:
CCCCCCCOc1ccc(CNC2(C)CC(OC3c4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC4C(=O)NC3C(=O)NC(C(=O)O)c3cc(O)cc(O)c3-c3cc4ccc3O)OC(C)C2O)cc1
HBA: 29 RingCount: 12
HBD: 17 FractionCSP3: 0.41
AlogP: 6.81 Num_rotatable_bonds: 20
MolWt: 1491.44 Num_heavy_atoms: 105
TPSA: 446.58 NumAromaticRings: 6

Sugarmoiety
SD00003

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