Glycoside
...
GD001025

Name:
None

Formula:
C81H101O24N9Cl2

Smiles:
CCCCCCCCCCCCCN[C@@]1(C)C[C@H](O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)Oc3ccc(cc3Cl)[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]4C(=O)NC3C(=O)NC2C(=O)N[C@H](C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)O[C@H](C)[C@H]1O

Aglycone:
CCCCCCCCCCCCCNC1(C)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC(C)C1O

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

Other Identifiers

Properties
HBA: 33 RingCount: 12
HBD: 20 FractionCSP3: 0.52
AlogP: 5.05 Num_rotatable_bonds: 26
MolWt: 1631.62 Num_heavy_atoms: 114
TPSA: 516.5 NumAromaticRings: 5

Unique Aglycone
AD01066
Formula: C75H91O19N9Cl2

Smiles:
CCCCCCCCCCCCCNC1(C)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC(C)C1O
HBA: 28 RingCount: 11
HBD: 17 FractionCSP3: 0.48
AlogP: 7.58 Num_rotatable_bonds: 23
MolWt: 1469.48 Num_heavy_atoms: 103
TPSA: 437.35 NumAromaticRings: 5

Sugarmoiety
SD00003

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