Glycoside
...
GD153152

Name:
6,6'-Di-O-Caffeoylcatalpol

Formula:
C33H34O16

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2OC=CC3C(OC(=O)C=Cc4ccc(O)c(O)c4)C4OC4(CO)C23)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C2(CO)OC12

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.39
AlogP: -0.24 Num_rotatable_bonds: 10
MolWt: 686.62 Num_heavy_atoms: 49
TPSA: 254.66 NumAromaticRings: 2

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD13446
Formula: C18H18O8

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C2C=COC(O)C2C2(CO)OC12
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.39
AlogP: 0.26 Num_rotatable_bonds: 4
MolWt: 362.33 Num_heavy_atoms: 26
TPSA: 128.98 NumAromaticRings: 1

Sugarmoiety
SD00017

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