Glycoside
...
GD013503

Name:
None

Formula:
C31H44O8N2

Smiles:
CCCCCCCCNC(=O)C1OC(Oc2ccc3c4c2O[C@@H]2[C@H](O)C=C[C@@H]5[C@H](C3)N(C)CC[C@@]452)C(O)C(O)C1O

Aglycone:
CCCCCCCCNC=O.CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.71
AlogP: 1.16 Num_rotatable_bonds: 10
MolWt: 572.7 Num_heavy_atoms: 41
TPSA: 140.95 NumAromaticRings: 1

Unique Aglycone
AD01097
Formula: C17H19O3N

Smiles:
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.53
AlogP: 1.2 Num_rotatable_bonds: 0
MolWt: 285.34 Num_heavy_atoms: 21
TPSA: 52.93 NumAromaticRings: 1
AD10067
Formula: C9H19ON

Smiles:
CCCCCCCCNC=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.89
AlogP: 2.09 Num_rotatable_bonds: 8
MolWt: 157.26 Num_heavy_atoms: 11
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O