Glycoside
...
GD023057

Name:
None

Formula:
C51H85O16N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 4 FractionCSP3: 0.82
AlogP: 3.41 Num_rotatable_bonds: 14
MolWt: 1024.26 Num_heavy_atoms: 72
TPSA: 250.63 NumAromaticRings: 1

Unique Aglycone
AD00310
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0
AD15552
Formula: C13H17O4N3

Smiles:
O=C(O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.46
AlogP: 1.19 Num_rotatable_bonds: 5
MolWt: 279.3 Num_heavy_atoms: 20
TPSA: 86.92 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O