Glycoside
...
GD130013

Name:
4-methyl 8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate

Formula:
C37H58O12

Smiles:
COC(=O)C1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)OC4OC(CO)C(O)C(O)C4O)(CCC(C)C3(C)O)CCC21C

Aglycone:
COC(=O)C1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.89
AlogP: 1.59 Num_rotatable_bonds: 4
MolWt: 694.86 Num_heavy_atoms: 49
TPSA: 203.44 NumAromaticRings: 0

Unique Aglycone
AD52675
Formula: C31H48O7

Smiles:
COC(=O)C1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)O)CCC21C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 4.33 Num_rotatable_bonds: 2
MolWt: 532.72 Num_heavy_atoms: 38
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O