Glycoside
...
GD020472

Name:
None

Formula:
C53H79O17N

Smiles:
COc1ccc(C(=O)NC[C@@H]2O[C@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.CNC(=O)c1ccc(OC)cc1

Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 8 FractionCSP3: 0.83
AlogP: 2.69 Num_rotatable_bonds: 10
MolWt: 1002.21 Num_heavy_atoms: 71
TPSA: 253.78 NumAromaticRings: 1

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
AD05627
Formula: C9H11O2N

Smiles:
CNC(=O)c1ccc(OC)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.05 Num_rotatable_bonds: 2
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 38.33 NumAromaticRings: 1

Sugarmoiety
SD00896

CC1OC(OC2C(O)OC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O