Glycoside
...
GD024039

Name:
None

Formula:
C53H72O16N2

Smiles:
C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](COC(=O)Nc7ccccc7)[C@H](O[C@@H]7O[C@H](COC(=O)Nc8ccccc8)[C@H](O)[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)Nc1ccccc1.COC(=O)Nc1ccccc1

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 7 FractionCSP3: 0.72
AlogP: 5.13 Num_rotatable_bonds: 10
MolWt: 993.16 Num_heavy_atoms: 71
TPSA: 250.26 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
AD03528
Formula: C8H9O2N

Smiles:
COC(=O)Nc1ccccc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.86 Num_rotatable_bonds: 1
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 38.33 NumAromaticRings: 1

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O