Glycoside
...
GD003489

Name:
None

Formula:
C75H90O24N9Cl

Smiles:
CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1C[C@@](C)(N)[C@H](O)[C@H](C)O1)Oc1ccc(cc1Cl)[C@H](O)[C@H](NC(=O)[C@H](CC(C)C)NC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]3C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c3cc(O)cc(O)c3-c3cc1ccc3O)[C@H]2O

Aglycone:
CC1OC(O)CC(C)(N)C1O.CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O)Oc1ccc(cc1Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC3C(=O)NC1C(=O)NC(C(=O)NC(C(=O)O)c3cc(O)cc(O)c3-c3cc1ccc3O)C2O

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

Other Identifiers

Properties
HBA: 33 RingCount: 12
HBD: 21 FractionCSP3: 0.46
AlogP: 2.44 Num_rotatable_bonds: 19
MolWt: 1525.03 Num_heavy_atoms: 108
TPSA: 530.49 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
AD03176
Formula: C62H67O17N8Cl

Smiles:
CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O)Oc1ccc(cc1Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC3C(=O)NC1C(=O)NC(C(=O)NC(C(=O)O)c3cc(O)cc(O)c3-c3cc1ccc3O)C2O
HBA: 25 RingCount: 10
HBD: 16 FractionCSP3: 0.34
AlogP: 4.73 Num_rotatable_bonds: 14
MolWt: 1219.7 Num_heavy_atoms: 87
TPSA: 406.86 NumAromaticRings: 5

Sugarmoiety
SD00003

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