Glycoside
...
GD005469

Name:
None

Formula:
C51H72O18N2

Smiles:
C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](COC(=O)NCc8ccco8)[C@H](OC(=O)NCc8ccco8)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)C4C(=O)C[C@@]3(C)C1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.COC(=O)NCc1ccco1.O=C(O)NCc1ccco1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 7 FractionCSP3: 0.78
AlogP: 3.68 Num_rotatable_bonds: 12
MolWt: 1001.13 Num_heavy_atoms: 71
TPSA: 276.54 NumAromaticRings: 2

Unique Aglycone
AD01997
Formula: C27H42O4

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C
HBA: 4 RingCount: 6
HBD: 1 FractionCSP3: 0.96
AlogP: 4.97 Num_rotatable_bonds: 0
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 55.76 NumAromaticRings: 0
AD04647
Formula: C7H9O3N

Smiles:
COC(=O)NCc1ccco1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.29
AlogP: 1.14 Num_rotatable_bonds: 2
MolWt: 155.15 Num_heavy_atoms: 11
TPSA: 51.47 NumAromaticRings: 1
AD04648
Formula: C6H7O3N

Smiles:
O=C(O)NCc1ccco1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.05 Num_rotatable_bonds: 2
MolWt: 141.13 Num_heavy_atoms: 10
TPSA: 62.47 NumAromaticRings: 1

Sugarmoiety
SD00326

OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O