Glycoside
...
GD000968

Name:
None

Formula:
C80H92O25N10Cl2

Smiles:
CCc1ccc(CN[C@@]2(C)C[C@H](O[C@@H]3[C@H](Oc4c5cc6cc4Oc4ccc(cc4Cl)[C@@H](O)[C@@H]4NC(=O)[C@@H](NC(=O)[C@@H]6NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)[C@@H](O)c6ccc(c(Cl)c6)O5)c5ccc(O)c(c5)-c5c(cc(O)c(CNCCO)c5O)[C@@H](C(=O)O)NC4=O)O[C@H](CO)[C@H](O)[C@H]3O)O[C@H](C)[C@H]2O)cc1

Aglycone:
CCc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1.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: 13
HBD: 22 FractionCSP3: 0.44
AlogP: 1.58 Num_rotatable_bonds: 21
MolWt: 1640.55 Num_heavy_atoms: 115
TPSA: 548.76 NumAromaticRings: 6

Unique Aglycone
AD01008
Formula: C16H25O3N

Smiles:
CCc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.62
AlogP: 1.59 Num_rotatable_bonds: 4
MolWt: 279.38 Num_heavy_atoms: 20
TPSA: 61.72 NumAromaticRings: 1
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