Glycoside
...
GD118329

Name:
None

Formula:
C40H45O12N3

Smiles:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO

Aglycone:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 9 FractionCSP3: 0.38
AlogP: 2.61 Num_rotatable_bonds: 14
MolWt: 759.81 Num_heavy_atoms: 55
TPSA: 232.26 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD47300
Formula: C23H25O4N3

Smiles:
CNCCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.35
AlogP: 3.04 Num_rotatable_bonds: 4
MolWt: 407.47 Num_heavy_atoms: 30
TPSA: 92.42 NumAromaticRings: 4

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO