Glycoside
...
GD019295

Name:
None

Formula:
C85H91O25N10Cl3

Smiles:
CN[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)O)c4cc(O)c(CNCCO)c(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)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
CC1OC(O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O.CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCO)c(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: 14
HBD: 22 FractionCSP3: 0.39
AlogP: 3.34 Num_rotatable_bonds: 21
MolWt: 1723.03 Num_heavy_atoms: 120
TPSA: 548.76 NumAromaticRings: 7

Unique Aglycone
AD00714
Formula: C21H24O3NCl

Smiles:
CC1OC(O)CC(C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)C1O
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 3.34 Num_rotatable_bonds: 4
MolWt: 361.87 Num_heavy_atoms: 25
TPSA: 61.72 NumAromaticRings: 2
AD01009
Formula: C58H59O18N9Cl2

Smiles:
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCO)c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
HBA: 27 RingCount: 10
HBD: 18 FractionCSP3: 0.32
AlogP: 1.48 Num_rotatable_bonds: 12
MolWt: 1217.04 Num_heavy_atoms: 85
TPSA: 439.12 NumAromaticRings: 5

Sugarmoiety
SD00003

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