Glycoside
...
GD010580

Name:
None

Formula:
C93H99O26N10Cl3

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(OCc4cccc(-c5ccccc5)c4C)c(Cl)c3)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O

Aglycone:
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.Cc1c(COc2ccc(CNC3(C)CC(O)OC(C)C3O)cc2Cl)cccc1-c1ccccc1

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

Other Identifiers

Properties
HBA: 36 RingCount: 15
HBD: 22 FractionCSP3: 0.38
AlogP: 5.23 Num_rotatable_bonds: 24
MolWt: 1843.18 Num_heavy_atoms: 129
TPSA: 557.99 NumAromaticRings: 8

Unique Aglycone
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
AD08149
Formula: C29H32O4NCl

Smiles:
Cc1c(COc2ccc(CNC3(C)CC(O)OC(C)C3O)cc2Cl)cccc1-c1ccccc1
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.36
AlogP: 5.23 Num_rotatable_bonds: 7
MolWt: 482.02 Num_heavy_atoms: 34
TPSA: 70.95 NumAromaticRings: 3

Sugarmoiety
SD00003

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