Glycoside
...
GD015941

Name:
None

Formula:
C45H74O14N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)NC3CCCCC3)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=NOC(=O)NC2CCCCC2)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NOC(=O)NC2CCCCC2)C(C)C2OC(=O)OC12C.O=C(O)NC1CCCCC1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.79 Num_rotatable_bonds: 9
MolWt: 895.1 Num_heavy_atoms: 63
TPSA: 219.08 NumAromaticRings: 0

Unique Aglycone
AD03076
Formula: C7H13O2N

Smiles:
O=C(O)NC1CCCCC1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 1.59 Num_rotatable_bonds: 1
MolWt: 143.19 Num_heavy_atoms: 10
TPSA: 49.33 NumAromaticRings: 0
AD11531
Formula: C30H48O10N2

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NOC(=O)NC2CCCCC2)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.83
AlogP: 4.3 Num_rotatable_bonds: 4
MolWt: 596.72 Num_heavy_atoms: 42
TPSA: 159.05 NumAromaticRings: 0

Sugarmoiety
SD00048

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