Glycoside
...
GD032495

Name:
None

Formula:
C50H68O11N4

Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(=O)CCc6cn(-c7cc8ccc(O)cc8oc7=O)nn6)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.NC(=O)CCc1cn(-c2cc3ccc(O)cc3oc2=O)nn1

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

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 6 FractionCSP3: 0.7
AlogP: 6.21 Num_rotatable_bonds: 9
MolWt: 901.11 Num_heavy_atoms: 65
TPSA: 226.7 NumAromaticRings: 3

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD20838
Formula: C14H12O4N4

Smiles:
NC(=O)CCc1cn(-c2cc3ccc(O)cc3oc2=O)nn1
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.14
AlogP: 0.5 Num_rotatable_bonds: 4
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 124.24 NumAromaticRings: 3

Sugarmoiety
SD00003

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