Glycoside
...
GD002963

Name:
None

Formula:
C53H87O17N3

Smiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(CCCN)CCCN)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O

Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.NCCCNCCCN

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

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 15 FractionCSP3: 0.7
AlogP: 0.75 Num_rotatable_bonds: 10
MolWt: 1038.28 Num_heavy_atoms: 73
TPSA: 348.87 NumAromaticRings: 0

Unique Aglycone
AD02755
Formula: C41H62O14

Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.61
AlogP: 1.89 Num_rotatable_bonds: 1
MolWt: 778.93 Num_heavy_atoms: 55
TPSA: 254.9 NumAromaticRings: 0
AD02756
Formula: C6H17N3

Smiles:
NCCCNCCCN
HBA: 3 RingCount: 0
HBD: 5 FractionCSP3: 1.0
AlogP: -0.73 Num_rotatable_bonds: 6
MolWt: 131.22 Num_heavy_atoms: 9
TPSA: 64.07 NumAromaticRings: 0

Sugarmoiety
SD00076

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