Glycoside
...
GD020595

Name:
None

Formula:
C91H120O30N12Cl2

Smiles:
CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H]5NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)[C@@H](O)c5ccc(c(Cl)c5)O4)c4ccc(O)c(c4)-c4c(cc(O)c(CNCCO[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)c4O)[C@@H](C(=O)O)NC3=O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CCCCCCCCCCNCCNC1(C)CC(O)OC(C)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:
CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 13
HBD: 26 FractionCSP3: 0.56
AlogP: 0.52 Num_rotatable_bonds: 34
MolWt: 1908.9 Num_heavy_atoms: 133
TPSA: 648.81 NumAromaticRings: 5

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
AD02294
Formula: C19H40O3N2

Smiles:
CCCCCCCCCCNCCNC1(C)CC(O)OC(C)C1O
HBA: 5 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: 2.55 Num_rotatable_bonds: 13
MolWt: 344.54 Num_heavy_atoms: 24
TPSA: 73.75 NumAromaticRings: 0

Sugarmoiety
SD00405

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O