Glycoside
...
GD008284

Name:
None

Formula:
C54H75O17N

Smiles:
COC(=O)[C@@H]1C(O)C[C@](O)(CC(O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H](C)C=CC#Cc2ccccc2)O[C@H]1C[C@H](C=CC#Cc1ccccc1)O[C@@H]1O[C@H](C)[C@H](O)[C@H](N)[C@H]1O

Aglycone:
COC(=O)C1C(O)CC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC#Cc2ccccc2)OC1CC(O)C=CC#Cc1ccccc1

Sugarmoiety:
CC1OC(O)C(O)C(N)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 12 FractionCSP3: 0.59
AlogP: 1.11 Num_rotatable_bonds: 23
MolWt: 1010.18 Num_heavy_atoms: 72
TPSA: 308.61 NumAromaticRings: 2

Unique Aglycone
AD06632
Formula: C48H64O14

Smiles:
COC(=O)C1C(O)CC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC#Cc2ccccc2)OC1CC(O)C=CC#Cc1ccccc1
HBA: 14 RingCount: 3
HBD: 9 FractionCSP3: 0.54
AlogP: 2.29 Num_rotatable_bonds: 21
MolWt: 865.03 Num_heavy_atoms: 62
TPSA: 243.9 NumAromaticRings: 2

Sugarmoiety
SD00205

CC1OC(O)C(O)C(N)C1O