Glycoside
...
GD009487

Name:
None

Formula:
C75H92O25N11Cl

Smiles:
CNC(=O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC)[C@H](O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3C[C@@](C)(N)[C@H](O)[C@H](C)O3)Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@](C)(N)[C@H](O)[C@H](C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Aglycone:
CC1OC(O)CC(C)(N)C1O.CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(C)(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

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

Other Identifiers

Properties
HBA: 36 RingCount: 13
HBD: 23 FractionCSP3: 0.49
AlogP: -0.65 Num_rotatable_bonds: 15
MolWt: 1571.06 Num_heavy_atoms: 111
TPSA: 566.77 NumAromaticRings: 5

Unique Aglycone
AD00183
Formula: C7H15O3N

Smiles:
CC1OC(O)CC(C)(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.81 Num_rotatable_bonds: 0
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 75.71 NumAromaticRings: 0
AD07433
Formula: C62H69O18N10Cl

Smiles:
CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3)C2OC2CC(C)(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 28 RingCount: 11
HBD: 18 FractionCSP3: 0.38
AlogP: 1.64 Num_rotatable_bonds: 10
MolWt: 1265.73 Num_heavy_atoms: 90
TPSA: 443.14 NumAromaticRings: 5

Sugarmoiety
SD00003

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