Glycoside
...
GD003033

Name:
None

Formula:
C53H85O17N3

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)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)N2CCN(CCO)CC2)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)N1CCN(CCO)CC1

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 13 FractionCSP3: 0.7
AlogP: -0.24 Num_rotatable_bonds: 5
MolWt: 1036.27 Num_heavy_atoms: 73
TPSA: 326.09 NumAromaticRings: 0

Unique Aglycone
AD02801
Formula: C47H74O14N2

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)N1CCN(CCO)CC1
HBA: 16 RingCount: 3
HBD: 10 FractionCSP3: 0.66
AlogP: 0.95 Num_rotatable_bonds: 3
MolWt: 891.11 Num_heavy_atoms: 63
TPSA: 261.38 NumAromaticRings: 0

Sugarmoiety
SD00205

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